A0A087XB47_POEFO Loading...

Zinc finger and BTB domain containing 12, tandem duplicate 1

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087XB47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 559 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.2	Low	71	Confident	174 Å²	174	67.2 Å²	67.2	86%	0.857	36%	0.361	S	S	*	.				0	152.6	0	-67.5	170.5	177.4	0	0	107.3	T3 V217	M1-T3 PolarHBondContact O-N 3.06Å; M1-V217 PolarHBondContact N-O 3.49Å
2	E	68.3	Low	70.2	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	37%	0.373	S	S	.	.			trans	-71.6	128.1	172.5	-64.1	-171.9	150	0	0	109.1	P94 R216	E2-P94 HydrophobicContact CB-CG 4.33Å; E2-P94 WeakPolarHBondContact O-CD 3.35Å; E2-R216 IonicContact OE1-CZ 3.19Å; E2-R216 IonicContact OE1-NE 2.75Å; E2-R216 PolarHBondContact OE1-NE 3.05Å; E2-R216 IonicContact OE1-NH2 2.75Å; E2-R216 PolarHBondContact OE1-NH2 3.41Å
3	T	76.5	Confident	70.3	Confident	36 Å²	36	67.8 Å²	67.8	22%	0.221	38%	0.382	C	S	.	.			trans	-129	127.2	176.6	63.6	0	0	0	0	110.1	M1 Q91 F92	M1-T3 PolarHBondContact O-N 3.06Å; T3-Q91 PolarHBondContact OG1-NE2 3.34Å; T3-F92 CarbonylContact C-O 3.52Å; T3-F92 WeakPolarHBondContact CA-O 3.43Å
4	V	76.3	Confident	71.2	Confident	19 Å²	19	71.1 Å²	71.1	12%	0.115	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.5	171.1	-176.9	0	0	0	0	107.9	F6 Q91 F92 P94 A119	V4-F6 HydrophobicContact CG1-CD1 4.18Å; V4-F6 HydrophobicContact CG1-CE1 3.53Å; V4-F6 HydrophobicContact CG1-CE2 4.33Å; V4-F6 HydrophobicContact CG1-CZ 3.61Å; V4-Q91 VanDerWaalsContact O-CA 3.27Å; V4-Q91 WeakPolarHBondContact O-CA 3.2Å; V4-F92 HydrophobicContact CB-CD2 4.42Å; V4-F92 HydrophobicContact CB-CE1 4.37Å; V4-F92 HydrophobicContact CB-CE2 3.98Å; V4-F92 HydrophobicContact CB-CZ 3.96Å; V4-F92 HydrophobicContact CG1-CE1 4.24Å; V4-F92 HydrophobicContact CG1-CE2 4.27Å; V4-F92 HydrophobicContact CG1-CZ 3.8Å; V4-F92 HydrophobicContact CG2-CE2 4.36Å; V4-F92 PolarHBondContact N-O 2.91Å; V4-F92 PolarHBondContact O-N 2.96Å; V4-P94 HydrophobicContact CG2-CB 4.16Å; V4-A119 HydrophobicContact CG1-CB 4.28Å
5	C	79.1	Confident	72	Confident	32 Å²	32	72.1 Å²	72.1	22%	0.216	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	124.7	179.4	179.4	0	0	0	0	110	M89 L90 Q91	C5-M89 WeakPolarHBondContact SG-CE 3.2Å; C5-L90 CarbonylContact C-O 3.47Å; C5-L90 WeakPolarHBondContact CA-O 3.14Å; C5-Q91 HydrophobicContact CB-CG 4.4Å
6	F	79.6	Confident	72.9	Confident	24 Å²	24	69.6 Å²	69.6	11%	0.105	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.4	176	-57.7	-40.7	0	0	0	111.2	V4 M89 L90 F92 R115 A119	V4-F6 HydrophobicContact CG1-CD1 4.18Å; V4-F6 HydrophobicContact CG1-CE1 3.53Å; V4-F6 HydrophobicContact CG1-CE2 4.33Å; V4-F6 HydrophobicContact CG1-CZ 3.61Å; F6-M89 WeakPolarHBondContact O-CA 3.21Å; F6-L90 HydrophobicContact CD2-CD2 4.34Å; F6-L90 PolarHBondContact N-O 2.69Å; F6-L90 PolarHBondContact O-N 3.21Å; F6-L90 VanDerWaalsContact O-N 3.1Å; F6-F92 AromaticContact CD2-CE1 3.88Å; F6-F92 HydrophobicContact CD2-CE1 3.88Å; F6-F92 HydrophobicContact CD2-CZ 4.33Å; F6-F92 AromaticContact CE2-CE1 3.55Å; F6-F92 HydrophobicContact CE2-CE1 3.55Å; F6-F92 AromaticContact CE2-CZ 3.54Å; F6-F92 HydrophobicContact CE2-CZ 3.54Å; F6-F92 HydrophobicContact CZ-CE1 4.27Å; F6-F92 AromaticContact CZ-CZ 3.92Å; F6-F92 HydrophobicContact CZ-CZ 3.92Å; F6-R115 HydrophobicContact CD1-CB 4.43Å; F6-R115 HydrophobicContact CD2-CB 4.28Å; F6-R115 HydrophobicContact CE1-CB 4.3Å; F6-R115 HydrophobicContact CE2-CB 4.15Å; F6-R115 HydrophobicContact CG-CB 4.43Å; F6-R115 HydrophobicContact CZ-CB 4.17Å; F6-R115 VanDerWaalsContact CZ-O 3.26Å; F6-R115 WeakPolarHBondContact CZ-O 3.46Å; F6-A119 HydrophobicContact CE1-CB 3.89Å; F6-A119 HydrophobicContact CZ-CB 3.67Å
7	R	78.6	Confident	73.7	Confident	186 Å²	186	72.8 Å²	72.8	70%	0.702	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	106.8	166.3	179.4	178.1	-70.4	170.6	-0	109.7	G88 M89 R115	R7-G88 CarbonylContact C-O 3.57Å; R7-G88 WeakPolarHBondContact CA-O 3.4Å; R7-M89 HydrophobicContact CB-CE 4.34Å; R7-M89 HydrophobicContact CB-SD 3.71Å; R7-M89 HydrophobicContact CG-SD 3.82Å; R7-R115 PolarHBondContact O-NH1 3.03Å
8	L	73.9	Confident	74.6	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.031	41%	0.413	C	S	.	.			trans	-69.1	136.4	179.3	-55.2	-174.6	0	0	0	110.9	G88 I112	L8-G88 PolarHBondContact N-O 3.47Å; L8-I112 HydrophobicContact CD1-CD1 4.38Å; L8-I112 HydrophobicContact CD1-CG1 4.4Å; L8-I112 HydrophobicContact CD2-CG1 4.35Å
9	P	64.7	Low	75.4	Confident	85 Å²	85	73.7 Å²	73.7	55%	0.552	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	153.6	176.8	-22	34.1	0	0	0	112.1	H11	P9-H11 PolarHBondContact O-N 3.18Å; P9-H11 PolarHBondContact O-ND1 3.39Å
10	G	64.4	Low	76.2	Confident	61 Å²	61	72.1 Å²	72.1	63%	0.629	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	-12.2	176.8	0	0	0	0	0	116.4	G12	G10-G12 PolarHBondContact O-N 3.3Å; G10-G12 VanDerWaalsContact O-N 3.13Å
11	H	66.6	Low	76.9	Confident	34 Å²	34	70.9 Å²	70.9	16%	0.157	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	17.7	-177.5	-68.8	67.3	0	0	0	113.8	P9 D13 L16	P9-H11 PolarHBondContact O-N 3.18Å; P9-H11 PolarHBondContact O-ND1 3.39Å; H11-D13 VanDerWaalsContact C-N 3.31Å; H11-L16 HydrophobicContact CB-CD1 4.29Å
12	G	61.7	Low	78.8	Confident	49 Å²	49	64 Å²	64	51%	0.505	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.8	175.7	0	0	0	0	0	114.2	G10 K17	G10-G12 PolarHBondContact O-N 3.3Å; G10-G12 VanDerWaalsContact O-N 3.13Å; G12-K17 VanDerWaalsContact O-CE 3.27Å; G12-K17 WeakPolarHBondContact O-CE 3.44Å; G12-K17 PolarHBondContact O-NZ 2.75Å
13	D	71.6	Confident	80	Confident	93 Å²	93	61.3 Å²	61.3	50%	0.497	35%	0.345	S	S	.	.			trans	-63.5	144.2	-165.6	-72.8	1.5	0	0	0	114.9	H11 T15 L16 K17	H11-D13 VanDerWaalsContact C-N 3.31Å; D13-T15 WeakPolarHBondContact CB-OG1 3.34Å; D13-T15 PolarHBondContact O-N 3.45Å; D13-L16 PolarHBondContact O-N 3.45Å; D13-K17 WeakPolarHBondContact O-CG 3.49Å; D13-K17 PolarHBondContact O-N 3.47Å; D13-K17 VanDerWaalsContact O-N 3.13Å
14	T	82.1	Confident	80.7	Confident	114 Å²	114	63.3 Å²	63.3	70%	0.699	36%	0.36	S	S	*	.	H	α-helix	trans	-61.8	-28.8	172.9	53	0	0	0	0	112.1	H18	T14-H18 WeakPolarHBondContact O-CB 2.97Å; T14-H18 PolarHBondContact O-N 3.16Å
15	T	84	Confident	81.4	Confident	86 Å²	86	70.6 Å²	70.6	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-50.8	175.8	55.2	0	0	0	0	111.7	D13 K17 H18 M19	D13-T15 WeakPolarHBondContact CB-OG1 3.34Å; D13-T15 PolarHBondContact O-N 3.45Å; T15-K17 PolarHBondContact O-N 3.08Å; T15-H18 WeakPolarHBondContact O-CB 3.09Å; T15-H18 PolarHBondContact O-N 3.44Å; T15-M19 WeakPolarHBondContact O-CG 3.47Å; T15-M19 PolarHBondContact O-N 3.29Å
16	L	86.6	Confident	81.9	Confident	32 Å²	32	74.4 Å²	74.4	17%	0.168	40%	0.4	C	S	.	.	H	α-helix	trans	-64.5	-39.9	176.7	-80.1	168.4	0	0	0	111.6	H11 D13 H18 M19 N20 V47	H11-L16 HydrophobicContact CB-CD1 4.29Å; D13-L16 PolarHBondContact O-N 3.45Å; L16-H18 VanDerWaalsContact C-N 3.32Å; L16-H18 PolarHBondContact O-N 3.07Å; L16-M19 PolarHBondContact O-N 3.27Å; L16-N20 VanDerWaalsContact O-CB 3.32Å; L16-N20 WeakPolarHBondContact O-CB 3.31Å; L16-N20 PolarHBondContact O-N 2.99Å; L16-V47 HydrophobicContact CD2-CG1 4.01Å
17	K	86.3	Confident	82.4	Confident	124 Å²	124	77.9 Å²	77.9	54%	0.539	42%	0.416	S	S	.	.	H	α-helix	trans	-59.6	-40.2	172.4	-71.2	164.5	177.6	163.7	0	112.3	G12 D13 T15 N20 S21	G12-K17 VanDerWaalsContact O-CE 3.27Å; G12-K17 WeakPolarHBondContact O-CE 3.44Å; G12-K17 PolarHBondContact O-NZ 2.75Å; D13-K17 WeakPolarHBondContact O-CG 3.49Å; D13-K17 PolarHBondContact O-N 3.47Å; D13-K17 VanDerWaalsContact O-N 3.13Å; T15-K17 PolarHBondContact O-N 3.08Å; K17-N20 WeakPolarHBondContact O-CB 3.43Å; K17-S21 PolarHBondContact O-N 2.9Å
18	H	89.8	Confident	82.9	Confident	116 Å²	116	77.1 Å²	77.1	54%	0.537	42%	0.418	S	S	.	.	H	α-helix	trans	-67.1	-46.3	173.9	-174.3	79.8	0	0	0	112	T14 T15 L16 N20 S21 L22	T14-H18 WeakPolarHBondContact O-CB 2.97Å; T14-H18 PolarHBondContact O-N 3.16Å; T15-H18 WeakPolarHBondContact O-CB 3.09Å; T15-H18 PolarHBondContact O-N 3.44Å; L16-H18 VanDerWaalsContact C-N 3.32Å; L16-H18 PolarHBondContact O-N 3.07Å; H18-N20 VanDerWaalsContact C-N 3.28Å; H18-N20 PolarHBondContact O-N 2.99Å; H18-S21 WeakPolarHBondContact O-CA 3.45Å; H18-S21 WeakPolarHBondContact O-CB 3.27Å; H18-S21 PolarHBondContact O-N 3.45Å; H18-L22 PolarHBondContact O-N 3.23Å
19	M	89.9	Confident	83.8	Confident	48 Å²	48	78.3 Å²	78.3	24%	0.236	43%	0.427	C	S	.	.	H	α-helix	trans	-61.8	-33.5	176.3	-67.4	-63.2	-72.4	0	0	112.7	T15 L16 L22 R23 H44 V47 Y86	T15-M19 WeakPolarHBondContact O-CG 3.47Å; T15-M19 PolarHBondContact O-N 3.29Å; L16-M19 PolarHBondContact O-N 3.27Å; M19-L22 HydrophobicContact SD-CD1 4.08Å; M19-R23 WeakPolarHBondContact O-CB 3.38Å; M19-R23 PolarHBondContact O-N 3.4Å; M19-H44 HydrophobicContact CE-CB 3.84Å; M19-H44 VanDerWaalsContact CE-CG 3.44Å; M19-V47 HydrophobicContact CB-CG2 4.34Å; M19-V47 HydrophobicContact CE-CG2 3.89Å; M19-V47 HydrophobicContact CG-CG2 4.42Å; M19-Y86 HydrophobicContact CB-CD1 4.33Å; M19-Y86 HydrophobicContact CB-CE1 4.42Å
20	N	91.1	Very high	85.1	Confident	40 Å²	40	77.7 Å²	77.7	21%	0.214	42%	0.419	C	S	.	.	H	α-helix	trans	-62.9	-41.5	172.2	-172	28.5	0	0	0	111.5	L16 K17 H18 R23 S24 Q83	L16-N20 VanDerWaalsContact O-CB 3.32Å; L16-N20 WeakPolarHBondContact O-CB 3.31Å; L16-N20 PolarHBondContact O-N 2.99Å; K17-N20 WeakPolarHBondContact O-CB 3.43Å; H18-N20 VanDerWaalsContact C-N 3.28Å; H18-N20 PolarHBondContact O-N 2.99Å; N20-R23 PolarHBondContact O-N 2.63Å; N20-R23 VanDerWaalsContact OD1-CZ 3.26Å; N20-R23 PolarHBondContact OD1-NH1 2.61Å; N20-R23 PolarHBondContact OD1-NH2 3.08Å; N20-S24 PolarHBondContact O-N 3.41Å; N20-S24 PolarHBondContact O-OG 3.26Å; N20-Q83 PolarHBondContact OD1-NE2 3.16Å
21	S	91.8	Very high	86.5	Confident	47 Å²	47	74.8 Å²	74.8	33%	0.329	39%	0.389	S	S	.	.	H	α-helix	trans	-71.5	-36.8	176.9	-170.1	0	0	0	0	113	K17 H18 S24 R25	K17-S21 PolarHBondContact O-N 2.9Å; H18-S21 WeakPolarHBondContact O-CA 3.45Å; H18-S21 WeakPolarHBondContact O-CB 3.27Å; H18-S21 PolarHBondContact O-N 3.45Å; S21-S24 PolarHBondContact O-OG 3.01Å; S21-S24 VanDerWaalsContact O-OG 3.08Å; S21-R25 WeakPolarHBondContact O-CG 3.39Å; S21-R25 PolarHBondContact O-N 2.85Å
22	L	91.8	Very high	87.7	Confident	30 Å²	30	74.6 Å²	74.6	16%	0.157	39%	0.39	C	S	.	.	H	α-helix	trans	-63.6	-43.3	170	-67.9	178	0	0	0	111.2	H18 M19 R25 Q26 H27 F28	H18-L22 PolarHBondContact O-N 3.23Å; M19-L22 HydrophobicContact SD-CD1 4.08Å; L22-R25 CarbonylContact O-C 3.05Å; L22-R25 PolarHBondContact O-N 3.13Å; L22-Q26 PolarHBondContact O-N 2.91Å; L22-H27 HydrophobicContact CD2-CB 4.17Å; L22-H27 PolarHBondContact O-N 3.39Å; L22-F28 HydrophobicContact CD1-CD2 4.37Å; L22-F28 HydrophobicContact CD2-CD2 4.41Å
23	R	94.4	Very high	89.1	Confident	26 Å²	26	72.4 Å²	72.4	10%	0.098	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-43.7	178.7	-168.1	-157.9	71.8	-92.3	-23	112.5	M19 N20 R25 Q26 K42 Y86	M19-R23 WeakPolarHBondContact O-CB 3.38Å; M19-R23 PolarHBondContact O-N 3.4Å; N20-R23 PolarHBondContact O-N 2.63Å; N20-R23 VanDerWaalsContact OD1-CZ 3.26Å; N20-R23 PolarHBondContact OD1-NH1 2.61Å; N20-R23 PolarHBondContact OD1-NH2 3.08Å; R23-R25 VanDerWaalsContact C-N 3.28Å; R23-R25 PolarHBondContact O-N 2.94Å; R23-Q26 WeakPolarHBondContact O-CA 3.27Å; R23-Q26 PolarHBondContact O-N 3.03Å; R23-K42 WeakPolarHBondContact CD-O 3.44Å; R23-K42 WeakPolarHBondContact CG-O 3.19Å; R23-Y86 HydrophobicContact CB-CE1 4.26Å; R23-Y86 VanDerWaalsContact NH1-CB 3.25Å
24	S	90.3	Very high	90	Very high	77 Å²	77	68.6 Å²	68.6	54%	0.538	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-33.9	178.3	61.8	0	0	0	0	112.4	N20 S21 Q26	N20-S24 PolarHBondContact O-N 3.41Å; N20-S24 PolarHBondContact O-OG 3.26Å; S21-S24 PolarHBondContact O-OG 3.01Å; S21-S24 VanDerWaalsContact O-OG 3.08Å; S24-Q26 PolarHBondContact O-N 2.93Å
25	R	92.3	Very high	90.2	Very high	172 Å²	172	63.4 Å²	63.4	65%	0.649	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-0.6	170	-62.6	174.5	-176.8	-169.3	-0.6	114.1	S21 L22 R23 H27	S21-R25 WeakPolarHBondContact O-CG 3.39Å; S21-R25 PolarHBondContact O-N 2.85Å; L22-R25 CarbonylContact O-C 3.05Å; L22-R25 PolarHBondContact O-N 3.13Å; R23-R25 VanDerWaalsContact C-N 3.28Å; R23-R25 PolarHBondContact O-N 2.94Å; R25-H27 VanDerWaalsContact CB-CD2 3.49Å; R25-H27 WeakPolarHBondContact CB-CD2 3.09Å; R25-H27 PolarHBondContact O-N 3.36Å; R25-H27 VanDerWaalsContact O-N 3.13Å
26	Q	89.1	Confident	89.9	Confident	113 Å²	113	62.6 Å²	62.6	53%	0.528	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	17.2	-176.7	-49.5	-178.9	31	0	0	114.9	L22 R23 S24 K42	L22-Q26 PolarHBondContact O-N 2.91Å; R23-Q26 WeakPolarHBondContact O-CA 3.27Å; R23-Q26 PolarHBondContact O-N 3.03Å; S24-Q26 PolarHBondContact O-N 2.93Å; Q26-K42 HydrophobicContact CB-CD 4.45Å; Q26-K42 HydrophobicContact CG-CD 4.28Å
27	H	89.8	Confident	89.4	Confident	97 Å²	97	65.3 Å²	65.3	45%	0.449	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	144.5	173.6	-70.2	-59.1	0	0	0	110.7	L22 R25 C29 H44	L22-H27 HydrophobicContact CD2-CB 4.17Å; L22-H27 PolarHBondContact O-N 3.39Å; R25-H27 VanDerWaalsContact CB-CD2 3.49Å; R25-H27 WeakPolarHBondContact CB-CD2 3.09Å; R25-H27 PolarHBondContact O-N 3.36Å; R25-H27 VanDerWaalsContact O-N 3.13Å; H27-C29 PolarHBondContact O-N 3.26Å; H27-C29 PolarHBondContact O-SG 2.99Å; H27-H44 PolarHBondContact O-NE2 2.8Å
28	F	89.3	Confident	88.8	Confident	169 Å²	169	65.8 Å²	65.8	74%	0.741	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	13.3	174.8	-54.3	-69.8	0	0	0	117	L22 D30 H44	L22-F28 HydrophobicContact CD1-CD2 4.37Å; L22-F28 HydrophobicContact CD2-CD2 4.41Å; F28-D30 PolarHBondContact O-N 3.42Å; F28-D30 VanDerWaalsContact O-N 3.15Å; F28-H44 PolarHBondContact O-CD2 3.37Å
29	C	91.8	Very high	88.6	Confident	32 Å²	32	64 Å²	64	22%	0.216	33%	0.329	C	S	.	.			trans	-70.9	107.4	176.2	-66.8	0	0	0	0	110.8	H27 K42 G43	H27-C29 PolarHBondContact O-N 3.26Å; H27-C29 PolarHBondContact O-SG 2.99Å; C29-K42 HydrophobicContact CB-CB 4.21Å; C29-G43 CarbonylContact C-O 3.39Å; C29-G43 WeakPolarHBondContact CA-O 3.39Å; C29-G43 WeakPolarHBondContact CB-O 3.49Å
30	D	92.2	Very high	88.6	Confident	71 Å²	71	65.3 Å²	65.3	38%	0.38	34%	0.34	S	S	.	.			trans	-95.2	-0.5	-177.5	66.8	-23.9	0	0	0	113.4	F28 G43 H44 K45	F28-D30 PolarHBondContact O-N 3.42Å; F28-D30 VanDerWaalsContact O-N 3.15Å; D30-G43 PolarHBondContact N-O 3Å; D30-G43 VanDerWaalsContact N-O 3.16Å; D30-H44 WeakPolarHBondContact OD1-CA 3.48Å; D30-K45 WeakPolarHBondContact O-CE 3.31Å; D30-K45 PolarHBondContact OD1-N 2.95Å; D30-K45 WeakPolarHBondContact OD2-CB 3.32Å; D30-K45 WeakPolarHBondContact OD2-CD 3.28Å; D30-K45 WeakPolarHBondContact OD2-CG 3.43Å
31	I	93.7	Very high	88.6	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137	171.8	-174.4	65.6	0	0	0	112.2	I33 G43 K45 L48 F59 P65 L67	I31-I33 HydrophobicContact CG1-CG1 3.92Å; I31-G43 VanDerWaalsContact CG2-O 3.29Å; I31-G43 WeakPolarHBondContact CG2-O 3.43Å; I31-G43 PolarHBondContact N-O 2.91Å; I31-G43 VanDerWaalsContact N-O 3.17Å; I31-G43 PolarHBondContact O-N 2.89Å; I31-K45 HydrophobicContact CB-CD 4.46Å; I31-K45 HydrophobicContact CB-CG 3.72Å; I31-K45 HydrophobicContact CG2-CG 3.77Å; I31-L48 HydrophobicContact CG2-CD1 4.06Å; I31-F59 HydrophobicContact CD1-CD1 4.44Å; I31-F59 HydrophobicContact CD1-CE1 4.01Å; I31-F59 HydrophobicContact CG1-CE1 3.74Å; I31-F59 HydrophobicContact CG1-CZ 4.1Å; I31-F59 HydrophobicContact CG2-CZ 4.28Å; I31-P65 CarbonylContact C-O 3.42Å; I31-L67 HydrophobicContact CD1-CB 3.89Å
32	T	93.3	Very high	88.7	Confident	30 Å²	30	65.9 Å²	65.9	18%	0.184	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.7	163.9	-55.1	0	0	0	0	108.7	V34 T40 K42 P65 R66 L67	T32-V34 HydrophobicContact CG2-CG2 4.46Å; T32-T40 HydrophobicContact CG2-CG2 4.26Å; T32-K42 HydrophobicContact CG2-CG 4.18Å; T32-P65 PolarHBondContact N-O 2.72Å; T32-R66 WeakPolarHBondContact O-CA 3.47Å; T32-L67 PolarHBondContact O-N 2.93Å
33	I	91.1	Very high	88.8	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	130.6	174.4	-59.8	-177.1	0	0	0	108.2	I31 T40 F41 L48 L55 L67 V69 L82	I31-I33 HydrophobicContact CG1-CG1 3.92Å; I33-T40 CarbonylContact O-C 3.57Å; I33-T40 VanDerWaalsContact O-CA 3.31Å; I33-T40 WeakPolarHBondContact O-CA 3.44Å; I33-F41 HydrophobicContact CB-CB 4.46Å; I33-F41 PolarHBondContact N-O 2.73Å; I33-F41 PolarHBondContact O-N 2.93Å; I33-L48 HydrophobicContact CD1-CD1 3.8Å; I33-L55 HydrophobicContact CD1-CD1 4.26Å; I33-L55 HydrophobicContact CD1-CD2 4.18Å; I33-L67 CarbonylContact C-O 3.51Å; I33-L67 VanDerWaalsContact CA-O 3.31Å; I33-L67 WeakPolarHBondContact CA-O 3.26Å; I33-L67 HydrophobicContact CG1-CB 4.49Å; I33-L67 HydrophobicContact CG1-CD2 4.46Å; I33-V69 HydrophobicContact CG2-CG2 3.67Å; I33-L82 HydrophobicContact CB-CD1 4.23Å; I33-L82 HydrophobicContact CD1-CD1 3.9Å; I33-L82 HydrophobicContact CD1-CD2 3.87Å; I33-L82 HydrophobicContact CG2-CD1 4.03Å
34	V	89.7	Confident	88.8	Confident	13 Å²	13	63.7 Å²	63.7	8%	0.079	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.5	-179	-170.9	0	0	0	0	109.3	T32 T40 L67 V69	T32-V34 HydrophobicContact CG2-CG2 4.46Å; V34-T40 HydrophobicContact CG1-CG2 4.38Å; V34-T40 HydrophobicContact CG2-CG2 4.08Å; V34-L67 PolarHBondContact N-O 3.27Å; V34-V69 PolarHBondContact O-N 2.75Å
35	A	85.8	Confident	88.9	Confident	6 Å²	6	61.7 Å²	61.7	5%	0.05	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	169.8	175.6	0	0	0	0	0	112.2	N37 N38 Q39 V78	A35-N37 PolarHBondContact O-N 2.9Å; A35-N38 PolarHBondContact O-N 3.17Å; A35-Q39 PolarHBondContact N-O 3.35Å; A35-V78 HydrophobicContact CB-CB 4.4Å; A35-V78 HydrophobicContact CB-CG1 4.46Å; A35-V78 HydrophobicContact CB-CG2 4.2Å
36	S	77.2	Confident	88.9	Confident	68 Å²	68	59.1 Å²	59.1	48%	0.476	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.2	-169.7	-49.1	0	0	0	0	116.5	M71	S36-M71 PolarHBondContact OG-N 3.05Å; S36-M71 PolarHBondContact OG-O 3.2Å
37	N	76.4	Confident	89.1	Confident	90 Å²	90	54.3 Å²	54.3	48%	0.481	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	19.2	178.4	74.6	-26	0	0	0	113.8	A35 Q39 S75	A35-N37 PolarHBondContact O-N 2.9Å; N37-Q39 PolarHBondContact O-N 3.33Å; N37-Q39 WeakPolarHBondContact OD1-CB 3.27Å; N37-Q39 PolarHBondContact OD1-N 3.26Å; N37-S75 VanDerWaalsContact CG-CB 3.47Å; N37-S75 VanDerWaalsContact CG-OG 3.24Å; N37-S75 PolarHBondContact ND2-OG 2.93Å; N37-S75 WeakPolarHBondContact OD1-CB 3.28Å; N37-S75 PolarHBondContact OD1-OG 2.88Å
38	N	75.1	Confident	89.2	Confident	134 Å²	134	49.7 Å²	49.7	72%	0.717	27%	0.266	S	S	*	.	S	Bend	trans	66.7	5.7	-171	-59	-48.2	0	0	0	116.4	A35 T40	A35-N38 PolarHBondContact O-N 3.17Å; N38-T40 WeakPolarHBondContact O-CG2 3.5Å; N38-T40 PolarHBondContact O-N 3.01Å
39	Q	84.6	Confident	89.4	Confident	78 Å²	78	42.6 Å²	42.6	36%	0.364	24%	0.238	S	C	.	.			trans	-62.4	125.1	169.7	-172	174.4	-0.3	0	0	109.8	A35 N37 S75 C79	A35-Q39 PolarHBondContact N-O 3.35Å; N37-Q39 PolarHBondContact O-N 3.33Å; N37-Q39 WeakPolarHBondContact OD1-CB 3.27Å; N37-Q39 PolarHBondContact OD1-N 3.26Å; Q39-S75 PolarHBondContact OE1-OG 3.26Å; Q39-C79 VanDerWaalsContact CD-SG 3.57Å; Q39-C79 PolarHBondContact NE2-SG 3.49Å
40	T	89.1	Confident	89.3	Confident	76 Å²	76	45 Å²	45	47%	0.466	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122	-175.1	64.8	0	0	0	0	112.4	T32 I33 V34 N38	T32-T40 HydrophobicContact CG2-CG2 4.26Å; I33-T40 CarbonylContact O-C 3.57Å; I33-T40 VanDerWaalsContact O-CA 3.31Å; I33-T40 WeakPolarHBondContact O-CA 3.44Å; V34-T40 HydrophobicContact CG1-CG2 4.38Å; V34-T40 HydrophobicContact CG2-CG2 4.08Å; N38-T40 WeakPolarHBondContact O-CG2 3.5Å; N38-T40 PolarHBondContact O-N 3.01Å
41	F	92.3	Very high	89.2	Confident	17 Å²	17	42.3 Å²	42.3	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.4	168.4	-173.4	-84.4	0	0	0	109.8	I33 L48 C79 L82 Q83 Y86	I33-F41 HydrophobicContact CB-CB 4.46Å; I33-F41 PolarHBondContact N-O 2.73Å; I33-F41 PolarHBondContact O-N 2.93Å; F41-L48 HydrophobicContact CE1-CD1 4.33Å; F41-L48 HydrophobicContact CE1-CD2 4.48Å; F41-C79 HydrophobicContact CD2-CB 4.34Å; F41-L82 HydrophobicContact CB-CD1 3.84Å; F41-L82 HydrophobicContact CD1-CB 3.83Å; F41-L82 HydrophobicContact CD1-CD1 3.9Å; F41-L82 HydrophobicContact CD1-CG 4.43Å; F41-L82 HydrophobicContact CD2-CB 3.86Å; F41-L82 HydrophobicContact CD2-CD1 4.42Å; F41-L82 HydrophobicContact CE1-CB 3.74Å; F41-L82 HydrophobicContact CE2-CB 3.76Å; F41-L82 HydrophobicContact CG-CB 3.89Å; F41-L82 HydrophobicContact CG-CD1 3.8Å; F41-L82 VanDerWaalsContact CZ-C 3.5Å; F41-L82 HydrophobicContact CZ-CB 3.69Å; F41-L82 VanDerWaalsContact CZ-O 3.31Å; F41-L82 WeakPolarHBondContact CZ-O 3.37Å; F41-Q83 HydrophobicContact CE2-CB 4.15Å; F41-Y86 HydrophobicContact CE1-CE2 4.04Å; F41-Y86 HydrophobicContact CZ-CD2 4.22Å; F41-Y86 AromaticContact CZ-CE2 3.9Å; F41-Y86 HydrophobicContact CZ-CE2 3.9Å
42	K	93.1	Very high	89.2	Confident	82 Å²	82	42.2 Å²	42.2	36%	0.357	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.7	171.1	-67.9	-175.1	-177.3	178.9	0	110	R23 Q26 C29 T32	R23-K42 WeakPolarHBondContact CD-O 3.44Å; R23-K42 WeakPolarHBondContact CG-O 3.19Å; Q26-K42 HydrophobicContact CB-CD 4.45Å; Q26-K42 HydrophobicContact CG-CD 4.28Å; C29-K42 HydrophobicContact CB-CB 4.21Å; T32-K42 HydrophobicContact CG2-CG 4.18Å
43	G	93.7	Very high	89.2	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	-179.1	-175.8	0	0	0	0	0	114.2	C29 D30 I31	C29-G43 CarbonylContact C-O 3.39Å; C29-G43 WeakPolarHBondContact CA-O 3.39Å; C29-G43 WeakPolarHBondContact CB-O 3.49Å; D30-G43 PolarHBondContact N-O 3Å; D30-G43 VanDerWaalsContact N-O 3.16Å; I31-G43 VanDerWaalsContact CG2-O 3.29Å; I31-G43 WeakPolarHBondContact CG2-O 3.43Å; I31-G43 PolarHBondContact N-O 2.91Å; I31-G43 VanDerWaalsContact N-O 3.17Å; I31-G43 PolarHBondContact O-N 2.89Å
44	H	94.4	Very high	89.2	Confident	10 Å²	10	44.7 Å²	44.7	5%	0.046	26%	0.259	C	S	.	.			trans	-102.9	125.8	174.2	-54.4	89.1	0	0	0	109.5	M19 H27 F28 D30 V46 V47 L48 Y86	M19-H44 HydrophobicContact CE-CB 3.84Å; M19-H44 VanDerWaalsContact CE-CG 3.44Å; H27-H44 PolarHBondContact O-NE2 2.8Å; F28-H44 PolarHBondContact O-CD2 3.37Å; D30-H44 WeakPolarHBondContact OD1-CA 3.48Å; H44-V46 PolarHBondContact O-N 3.5Å; H44-V47 HydrophobicContact CB-CG2 4.25Å; H44-V47 PolarHBondContact O-N 2.83Å; H44-L48 PolarHBondContact O-N 3.31Å; H44-Y86 PolarHBondContact N-OH 2.85Å; H44-Y86 AromaticContact ND1-CE1 3.77Å
45	K	93.7	Very high	89.4	Confident	35 Å²	35	44.1 Å²	44.1	15%	0.152	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-38.3	178.7	-70.5	179.5	177.2	-174.5	0	111.3	D30 I31 V47 L48 A49 F59 P63 S64	D30-K45 WeakPolarHBondContact O-CE 3.31Å; D30-K45 PolarHBondContact OD1-N 2.95Å; D30-K45 WeakPolarHBondContact OD2-CB 3.32Å; D30-K45 WeakPolarHBondContact OD2-CD 3.28Å; D30-K45 WeakPolarHBondContact OD2-CG 3.43Å; I31-K45 HydrophobicContact CB-CD 4.46Å; I31-K45 HydrophobicContact CB-CG 3.72Å; I31-K45 HydrophobicContact CG2-CG 3.77Å; K45-V47 PolarHBondContact O-N 3.08Å; K45-L48 PolarHBondContact O-N 2.8Å; K45-A49 WeakPolarHBondContact O-CB 3.29Å; K45-A49 PolarHBondContact O-N 2.82Å; K45-F59 HydrophobicContact CB-CD2 3.69Å; K45-F59 HydrophobicContact CB-CE2 3.94Å; K45-F59 HydrophobicContact CB-CG 4.33Å; K45-F59 HydrophobicContact CD-CB 4.25Å; K45-F59 HydrophobicContact CD-CD1 4.47Å; K45-F59 HydrophobicContact CD-CD2 4.34Å; K45-F59 HydrophobicContact CD-CG 4.11Å; K45-F59 HydrophobicContact CG-CD1 4.32Å; K45-F59 HydrophobicContact CG-CD2 3.76Å; K45-F59 HydrophobicContact CG-CE1 4.49Å; K45-F59 HydrophobicContact CG-CE2 3.95Å; K45-F59 HydrophobicContact CG-CG 3.97Å; K45-F59 HydrophobicContact CG-CZ 4.31Å; K45-P63 PolarHBondContact NZ-O 3.21Å; K45-S64 PolarHBondContact NZ-O 3.16Å
46	V	92.2	Very high	89.8	Confident	117 Å²	117	47.6 Å²	47.6	71%	0.709	27%	0.267	S	S	*	.	H	α-helix	trans	-57.6	-47.5	179.7	-178.6	0	0	0	0	112.4	H44 A50	H44-V46 PolarHBondContact O-N 3.5Å; V46-A50 PolarHBondContact O-N 2.87Å
47	V	92.1	Very high	90.5	Very high	12 Å²	12	45.9 Å²	45.9	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-70.1	-48.2	-179.7	179.8	0	0	0	0	110.2	L16 M19 H44 K45 A49 A50 C51 C85 Y86	L16-V47 HydrophobicContact CD2-CG1 4.01Å; M19-V47 HydrophobicContact CB-CG2 4.34Å; M19-V47 HydrophobicContact CE-CG2 3.89Å; M19-V47 HydrophobicContact CG-CG2 4.42Å; H44-V47 HydrophobicContact CB-CG2 4.25Å; H44-V47 PolarHBondContact O-N 2.83Å; K45-V47 PolarHBondContact O-N 3.08Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 3.39Å; V47-A50 WeakPolarHBondContact O-CB 3.13Å; V47-A50 PolarHBondContact O-N 3.05Å; V47-A50 VanDerWaalsContact O-N 3.11Å; V47-C51 PolarHBondContact O-N 3.06Å; V47-C51 PolarHBondContact O-SG 3.5Å; V47-C85 HydrophobicContact CG1-CB 4.35Å; V47-C85 WeakPolarHBondContact CG1-O 3.38Å; V47-Y86 HydrophobicContact CB-CE1 3.94Å; V47-Y86 HydrophobicContact CG1-CD1 4.06Å; V47-Y86 HydrophobicContact CG1-CD2 4.33Å; V47-Y86 HydrophobicContact CG1-CE1 3.82Å; V47-Y86 HydrophobicContact CG1-CE2 4.08Å; V47-Y86 HydrophobicContact CG1-CG 4.29Å; V47-Y86 HydrophobicContact CG2-CE1 3.91Å
48	L	93	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-31.4	-177.1	-66.4	178.6	0	0	0	113	I31 I33 F41 H44 K45 S52 L55 F59 L82 C85 Y86	I31-L48 HydrophobicContact CG2-CD1 4.06Å; I33-L48 HydrophobicContact CD1-CD1 3.8Å; F41-L48 HydrophobicContact CE1-CD1 4.33Å; F41-L48 HydrophobicContact CE1-CD2 4.48Å; H44-L48 PolarHBondContact O-N 3.31Å; K45-L48 PolarHBondContact O-N 2.8Å; L48-S52 WeakPolarHBondContact O-CB 3.42Å; L48-S52 PolarHBondContact O-N 3.04Å; L48-L55 HydrophobicContact CB-CD1 4Å; L48-F59 HydrophobicContact CB-CE2 3.93Å; L48-F59 HydrophobicContact CB-CZ 4.19Å; L48-F59 HydrophobicContact CD1-CZ 4.45Å; L48-L82 HydrophobicContact CD1-CD2 4.35Å; L48-L82 HydrophobicContact CD2-CB 4.46Å; L48-L82 HydrophobicContact CD2-CD2 3.76Å; L48-C85 HydrophobicContact CD2-CB 4.01Å; L48-Y86 HydrophobicContact CD2-CE2 3.95Å; L48-Y86 HydrophobicContact CG-CE2 4.4Å
49	A	92.9	Very high	92	Very high	20 Å²	20	38.8 Å²	38.8	17%	0.165	21%	0.212	C	C	.	.	H	α-helix	trans	-75.2	-19.9	174.1	0	0	0	0	0	114.1	K45 V47 R56 F59	K45-A49 WeakPolarHBondContact O-CB 3.29Å; K45-A49 PolarHBondContact O-N 2.82Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 3.39Å; A49-R56 HydrophobicContact CB-CB 3.65Å; A49-R56 HydrophobicContact CB-CG 3.97Å; A49-F59 HydrophobicContact CB-CD2 4.26Å
50	A	90.6	Very high	92.2	Very high	84 Å²	84	41.8 Å²	41.8	69%	0.694	23%	0.23	S	C	*	.	H	α-helix	trans	-77.4	-43.3	171.3	0	0	0	0	0	110.8	V46 V47	V46-A50 PolarHBondContact O-N 2.87Å; V47-A50 WeakPolarHBondContact O-CB 3.13Å; V47-A50 PolarHBondContact O-N 3.05Å; V47-A50 VanDerWaalsContact O-N 3.11Å
51	C	89.7	Confident	92.1	Very high	13 Å²	13	40.8 Å²	40.8	9%	0.088	22%	0.222	C	C	.	.	H	α-helix	trans	-81	-25.2	-177.3	-55.7	0	0	0	0	114.1	V47 C85 M109 H111	V47-C51 PolarHBondContact O-N 3.06Å; V47-C51 PolarHBondContact O-SG 3.5Å; C51-C85 HydrophobicContact CB-CB 3.95Å; C51-C85 VanDerWaalsContact CB-SG 3.52Å; C51-M109 HydrophobicContact CB-CE 4.09Å; C51-H111 PolarHBondContact O-CE1 2.79Å
52	S	92.8	Very high	91.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.			trans	-130.5	114.4	-178.1	170.7	0	0	0	0	112.1	L48 F54 L55 R56 F107	L48-S52 WeakPolarHBondContact O-CB 3.42Å; L48-S52 PolarHBondContact O-N 3.04Å; S52-F54 VanDerWaalsContact C-N 3.28Å; S52-F54 PolarHBondContact O-N 3.02Å; S52-F54 PolarHBondContact OG-N 3.12Å; S52-L55 PolarHBondContact O-N 3.05Å; S52-L55 WeakPolarHBondContact OG-CG 3.4Å; S52-L55 PolarHBondContact OG-N 2.9Å; S52-R56 PolarHBondContact O-N 3.17Å; S52-F107 WeakPolarHBondContact CB-O 3.37Å; S52-F107 PolarHBondContact OG-O 3.49Å
53	P	93.2	Very high	90.9	Very high	38 Å²	38	44 Å²	44	25%	0.247	25%	0.25	C	S	.	.	H	α-helix	trans	-56.6	-39.9	169.5	-25.7	35.6	0	0	0	113	R56 D57 Q108	P53-R56 PolarHBondContact O-N 3.16Å; P53-D57 PolarHBondContact O-N 3.44Å; P53-Q108 HydrophobicContact CB-CB 4.28Å; P53-Q108 VanDerWaalsContact CD-O 3.27Å; P53-Q108 WeakPolarHBondContact CD-O 3.4Å; P53-Q108 HydrophobicContact CG-CB 4.29Å
54	F	92.7	Very high	90.6	Very high	45 Å²	45	46.4 Å²	46.4	20%	0.197	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-49	176.7	173.4	-95.4	0	0	0	112	S52 D57 Q58 Y106 F107 Q108	S52-F54 VanDerWaalsContact C-N 3.28Å; S52-F54 PolarHBondContact O-N 3.02Å; S52-F54 PolarHBondContact OG-N 3.12Å; F54-D57 PolarHBondContact O-N 2.81Å; F54-Q58 WeakPolarHBondContact O-CB 3.29Å; F54-Q58 PolarHBondContact O-N 2.76Å; F54-Y106 HydrophobicContact CD1-CE1 4.33Å; F54-Y106 AromaticContact CE1-CE1 3.67Å; F54-Y106 HydrophobicContact CE1-CE1 3.67Å; F54-Y106 AromaticContact CZ-CE1 3.79Å; F54-Y106 HydrophobicContact CZ-CE1 3.79Å; F54-Y106 AromaticContact CZ-CZ 3.66Å; F54-Y106 WeakPolarHBondContact CZ-OH 3.17Å; F54-F107 AromaticContact CD1-CD1 3.93Å; F54-F107 HydrophobicContact CD1-CD1 3.93Å; F54-F107 HydrophobicContact CD1-CE1 4.46Å; F54-F107 HydrophobicContact CE1-CD1 4.35Å; F54-F107 HydrophobicContact CE1-CE1 4.47Å; F54-Q108 HydrophobicContact CB-CB 4.34Å; F54-Q108 HydrophobicContact CB-CG 4.12Å
55	L	92.4	Very high	90.3	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-39.9	179.8	-68.3	177.5	0	0	0	111.8	I33 L48 S52 Q58 F59 L67 L82 F107	I33-L55 HydrophobicContact CD1-CD1 4.26Å; I33-L55 HydrophobicContact CD1-CD2 4.18Å; L48-L55 HydrophobicContact CB-CD1 4Å; S52-L55 PolarHBondContact O-N 3.05Å; S52-L55 WeakPolarHBondContact OG-CG 3.4Å; S52-L55 PolarHBondContact OG-N 2.9Å; L55-Q58 PolarHBondContact O-N 3.36Å; L55-F59 HydrophobicContact CB-CE1 4.48Å; L55-F59 HydrophobicContact CB-CE2 3.89Å; L55-F59 HydrophobicContact CB-CZ 3.85Å; L55-F59 HydrophobicContact CD2-CE1 4.41Å; L55-F59 HydrophobicContact CD2-CZ 4.24Å; L55-F59 HydrophobicContact CG-CZ 4.44Å; L55-F59 WeakPolarHBondContact O-CB 3.12Å; L55-F59 WeakPolarHBondContact O-CD1 3.31Å; L55-F59 WeakPolarHBondContact O-CD2 3.08Å; L55-F59 WeakPolarHBondContact O-CG 3.17Å; L55-F59 PolarHBondContact O-N 3.37Å; L55-L67 HydrophobicContact CD2-CD2 3.74Å; L55-L82 HydrophobicContact CD1-CD2 3.66Å; L55-F107 HydrophobicContact CD1-CD1 4.31Å; L55-F107 HydrophobicContact CD2-CD1 4.15Å; L55-F107 HydrophobicContact CD2-CE1 4.05Å; L55-F107 HydrophobicContact CG-CD1 4.09Å; L55-F107 HydrophobicContact CG-CE1 4.43Å
56	R	93.9	Very high	90	Very high	79 Å²	79	56.7 Å²	56.7	30%	0.298	32%	0.315	S	S	.	.	H	α-helix	trans	-54.4	-55.9	173.4	-179.8	-172.5	65.7	-132.3	-4.5	111.6	A49 S52 P53 Q58 F59 L60	A49-R56 HydrophobicContact CB-CB 3.65Å; A49-R56 HydrophobicContact CB-CG 3.97Å; S52-R56 PolarHBondContact O-N 3.17Å; P53-R56 PolarHBondContact O-N 3.16Å; R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 3.37Å; R56-F59 PolarHBondContact O-N 2.88Å; R56-L60 HydrophobicContact CG-CD1 4.3Å; R56-L60 WeakPolarHBondContact O-CG 3.38Å; R56-L60 PolarHBondContact O-N 2.99Å; R56-L60 VanDerWaalsContact O-N 3.08Å
57	D	92.9	Very high	89.9	Confident	32 Å²	32	51.9 Å²	51.9	17%	0.171	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-38.9	-178	-77.6	42.4	0	0	0	110.2	P53 F54 F59 L60 L61 A323	P53-D57 PolarHBondContact O-N 3.44Å; F54-D57 PolarHBondContact O-N 2.81Å; D57-F59 PolarHBondContact O-N 3.47Å; D57-L60 PolarHBondContact O-N 2.93Å; D57-L61 VanDerWaalsContact O-CG 3.32Å; D57-L61 WeakPolarHBondContact O-CG 3.19Å; D57-L61 PolarHBondContact O-N 3.41Å; D57-A323 HydrophobicContact CB-CB 4.47Å
58	Q	90.9	Very high	89.6	Confident	52 Å²	52	58.1 Å²	58.1	24%	0.243	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-36.1	175.9	-176.5	65.7	-16.9	0	0	113.4	F54 L55 R56 N62 L67	F54-Q58 WeakPolarHBondContact O-CB 3.29Å; F54-Q58 PolarHBondContact O-N 2.76Å; L55-Q58 PolarHBondContact O-N 3.36Å; R56-Q58 VanDerWaalsContact C-N 3.32Å; R56-Q58 PolarHBondContact O-N 3.37Å; Q58-N62 VanDerWaalsContact CD-ND2 3.32Å; Q58-N62 WeakPolarHBondContact O-CB 3.32Å; Q58-N62 PolarHBondContact O-N 3.28Å; Q58-N62 PolarHBondContact O-ND2 3.39Å; Q58-N62 PolarHBondContact OE1-ND2 3.25Å; Q58-L67 HydrophobicContact CG-CD1 3.7Å; Q58-L67 HydrophobicContact CG-CD2 3.98Å
59	F	92.6	Very high	89.2	Confident	24 Å²	24	58.3 Å²	58.3	11%	0.105	32%	0.315	C	S	.	.	H	α-helix	trans	-73.5	-28.7	174.7	-58.8	-27.4	0	0	0	113.1	I31 K45 L48 A49 L55 R56 D57 L67	I31-F59 HydrophobicContact CD1-CD1 4.44Å; I31-F59 HydrophobicContact CD1-CE1 4.01Å; I31-F59 HydrophobicContact CG1-CE1 3.74Å; I31-F59 HydrophobicContact CG1-CZ 4.1Å; I31-F59 HydrophobicContact CG2-CZ 4.28Å; K45-F59 HydrophobicContact CB-CD2 3.69Å; K45-F59 HydrophobicContact CB-CE2 3.94Å; K45-F59 HydrophobicContact CB-CG 4.33Å; K45-F59 HydrophobicContact CD-CB 4.25Å; K45-F59 HydrophobicContact CD-CD1 4.47Å; K45-F59 HydrophobicContact CD-CD2 4.34Å; K45-F59 HydrophobicContact CD-CG 4.11Å; K45-F59 HydrophobicContact CG-CD1 4.32Å; K45-F59 HydrophobicContact CG-CD2 3.76Å; K45-F59 HydrophobicContact CG-CE1 4.49Å; K45-F59 HydrophobicContact CG-CE2 3.95Å; K45-F59 HydrophobicContact CG-CG 3.97Å; K45-F59 HydrophobicContact CG-CZ 4.31Å; L48-F59 HydrophobicContact CB-CE2 3.93Å; L48-F59 HydrophobicContact CB-CZ 4.19Å; L48-F59 HydrophobicContact CD1-CZ 4.45Å; A49-F59 HydrophobicContact CB-CD2 4.26Å; L55-F59 HydrophobicContact CB-CE1 4.48Å; L55-F59 HydrophobicContact CB-CE2 3.89Å; L55-F59 HydrophobicContact CB-CZ 3.85Å; L55-F59 HydrophobicContact CD2-CE1 4.41Å; L55-F59 HydrophobicContact CD2-CZ 4.24Å; L55-F59 HydrophobicContact CG-CZ 4.44Å; L55-F59 WeakPolarHBondContact O-CB 3.12Å; L55-F59 WeakPolarHBondContact O-CD1 3.31Å; L55-F59 WeakPolarHBondContact O-CD2 3.08Å; L55-F59 WeakPolarHBondContact O-CG 3.17Å; L55-F59 PolarHBondContact O-N 3.37Å; R56-F59 PolarHBondContact O-N 2.88Å; D57-F59 PolarHBondContact O-N 3.47Å; F59-L67 HydrophobicContact CE1-CD2 3.97Å
60	L	88.4	Confident	88.3	Confident	140 Å²	140	61.4 Å²	61.4	73%	0.733	34%	0.336	S	S	*	.	H	α-helix	trans	-73	-36	172.5	-70.1	170.6	0	0	0	111.8	R56 D57	R56-L60 HydrophobicContact CG-CD1 4.3Å; R56-L60 WeakPolarHBondContact O-CG 3.38Å; R56-L60 PolarHBondContact O-N 2.99Å; R56-L60 VanDerWaalsContact O-N 3.08Å; D57-L60 PolarHBondContact O-N 2.93Å
61	L	86.8	Confident	87.2	Confident	56 Å²	56	59 Å²	59	29%	0.293	31%	0.31	S	S	.	.	H	α-helix	trans	-78.7	-30.9	177	-67.2	-179.4	0	0	0	113.4	D57 A323 A325	D57-L61 VanDerWaalsContact O-CG 3.32Å; D57-L61 WeakPolarHBondContact O-CG 3.19Å; D57-L61 PolarHBondContact O-N 3.41Å; L61-A323 HydrophobicContact CD1-CB 4.04Å; L61-A323 HydrophobicContact CD2-CB 4.09Å; L61-A323 HydrophobicContact CG-CB 4.2Å; L61-A325 HydrophobicContact CD2-CB 3.98Å
62	N	80.1	Confident	85.6	Confident	46 Å²	46	67.3 Å²	67.3	25%	0.246	35%	0.353	C	S	.	.			trans	-126.7	103.4	-176.1	-61.3	-87.7	0	0	0	110.6	Q58 S64 L327	Q58-N62 VanDerWaalsContact CD-ND2 3.32Å; Q58-N62 WeakPolarHBondContact O-CB 3.32Å; Q58-N62 PolarHBondContact O-N 3.28Å; Q58-N62 PolarHBondContact O-ND2 3.39Å; Q58-N62 PolarHBondContact OE1-ND2 3.25Å; N62-S64 PolarHBondContact O-N 3.28Å; N62-S64 VanDerWaalsContact O-N 3.08Å; N62-L327 WeakPolarHBondContact OD1-CD2 3.4Å
63	P	80.1	Confident	84.4	Confident	121 Å²	121	68.5 Å²	68.5	79%	0.786	36%	0.357	S	S	*	.			trans	-68.9	-8.6	-178.6	27.6	-34.9	0	0	0	114	K45	K45-P63 PolarHBondContact NZ-O 3.21Å
64	S	87.8	Confident	83.7	Confident	50 Å²	50	69.6 Å²	69.6	35%	0.35	37%	0.366	S	S	.	.			trans	-46	141.9	-180	-178.1	0	0	0	0	113.9	K45 N62 R66	K45-S64 PolarHBondContact NZ-O 3.16Å; N62-S64 PolarHBondContact O-N 3.28Å; N62-S64 VanDerWaalsContact O-N 3.08Å; S64-R66 WeakPolarHBondContact CB-O 3.36Å; S64-R66 PolarHBondContact OG-N 3.08Å; S64-R66 PolarHBondContact OG-O 3.02Å
65	P	86.6	Confident	83.1	Confident	86 Å²	86	68.3 Å²	68.3	56%	0.558	36%	0.362	S	S	*	.	S	Bend	trans	-80.9	0.1	167.4	35.5	-35.9	0	0	0	112.8	I31 T32	I31-P65 CarbonylContact C-O 3.42Å; T32-P65 PolarHBondContact N-O 2.72Å
66	R	89.3	Confident	82.9	Confident	175 Å²	175	70.2 Å²	70.2	66%	0.66	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	128	175.4	-64.1	-179.7	71	172.4	1	110.5	T32 S64	T32-R66 WeakPolarHBondContact O-CA 3.47Å; S64-R66 WeakPolarHBondContact CB-O 3.36Å; S64-R66 PolarHBondContact OG-N 3.08Å; S64-R66 PolarHBondContact OG-O 3.02Å
67	L	89.3	Confident	82.7	Confident	16 Å²	16	66.4 Å²	66.4	8%	0.084	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.2	173.3	171.6	62.8	0	0	0	108.7	I31 T32 I33 V34 L55 Q58 F59 V69	I31-L67 HydrophobicContact CD1-CB 3.89Å; T32-L67 PolarHBondContact O-N 2.93Å; I33-L67 CarbonylContact C-O 3.51Å; I33-L67 VanDerWaalsContact CA-O 3.31Å; I33-L67 WeakPolarHBondContact CA-O 3.26Å; I33-L67 HydrophobicContact CG1-CB 4.49Å; I33-L67 HydrophobicContact CG1-CD2 4.46Å; V34-L67 PolarHBondContact N-O 3.27Å; L55-L67 HydrophobicContact CD2-CD2 3.74Å; Q58-L67 HydrophobicContact CG-CD1 3.7Å; Q58-L67 HydrophobicContact CG-CD2 3.98Å; F59-L67 HydrophobicContact CE1-CD2 3.97Å; L67-V69 HydrophobicContact CD1-CG2 4.47Å; L67-V69 HydrophobicContact CD2-CG2 4.02Å; L67-V69 HydrophobicContact CG-CG2 3.78Å
68	Q	86.6	Confident	82.5	Confident	143 Å²	143	65 Å²	65	67%	0.668	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.6	170.6	-174.6	172.5	-3.9	0	0	109.2
69	V	83.7	Confident	82.5	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	85	-178.9	-163.9	0	0	0	0	107.9	I33 V34 L67 M71 Y106 F107	I33-V69 HydrophobicContact CG2-CG2 3.67Å; V34-V69 PolarHBondContact O-N 2.75Å; L67-V69 HydrophobicContact CD1-CG2 4.47Å; L67-V69 HydrophobicContact CD2-CG2 4.02Å; L67-V69 HydrophobicContact CG-CG2 3.78Å; V69-M71 HydrophobicContact CG1-CG 3.74Å; V69-M71 HydrophobicContact CG1-SD 3.92Å; V69-M71 PolarHBondContact O-N 2.86Å; V69-Y106 HydrophobicContact CG1-CE1 3.62Å; V69-F107 HydrophobicContact CG1-CE1 4.18Å; V69-F107 HydrophobicContact CG1-CZ 4.1Å
70	S	75.2	Confident	82.4	Confident	85 Å²	85	65 Å²	65	59%	0.594	36%	0.358	S	S	*	.			trans	-77.1	101.4	-178.5	-55.2	0	0	0	0	110.3
71	M	65.6	Low	82.5	Confident	33 Å²	33	58.4 Å²	58.4	16%	0.163	32%	0.323	C	S	.	.			trans	-122.4	157.3	-174.2	-58.2	-50.9	-59.5	0	0	112.9	S36 V69 Y73 Y106	S36-M71 PolarHBondContact OG-N 3.05Å; S36-M71 PolarHBondContact OG-O 3.2Å; V69-M71 HydrophobicContact CG1-CG 3.74Å; V69-M71 HydrophobicContact CG1-SD 3.92Å; V69-M71 PolarHBondContact O-N 2.86Å; M71-Y73 HydrophobicContact CB-CD1 4.14Å; M71-Y73 HydrophobicContact CB-CD2 3.77Å; M71-Y73 HydrophobicContact CB-CE1 3.91Å; M71-Y73 HydrophobicContact CB-CE2 3.53Å; M71-Y73 HydrophobicContact CB-CG 4.09Å; M71-Y73 HydrophobicContact CE-CD1 4.39Å; M71-Y73 HydrophobicContact CE-CE1 3.45Å; M71-Y73 VanDerWaalsContact CE-CE1 3.45Å; M71-Y73 WeakPolarHBondContact CE-OH 3.39Å; M71-Y73 HydrophobicContact CG-CD2 4.42Å; M71-Y73 HydrophobicContact CG-CE1 4.15Å; M71-Y73 HydrophobicContact CG-CE2 3.68Å; M71-Y73 PolarHBondContact O-N 3.45Å; M71-Y106 HydrophobicContact CE-CD1 3.93Å; M71-Y106 HydrophobicContact CE-CD2 3.35Å; M71-Y106 HydrophobicContact CE-CE1 4.13Å; M71-Y106 HydrophobicContact CE-CE2 3.55Å; M71-Y106 HydrophobicContact CE-CG 3.54Å; M71-Y106 HydrophobicContact SD-CD1 4.04Å; M71-Y106 HydrophobicContact SD-CD2 4.02Å; M71-Y106 HydrophobicContact SD-CE1 3.67Å; M71-Y106 HydrophobicContact SD-CE2 3.62Å; M71-Y106 HydrophobicContact SD-CG 4.21Å
72	L	57.3	Low	82.8	Confident	187 Å²	187	55.7 Å²	55.7	98%	0.979	31%	0.309	S	S	*	.	S	Bend	trans	-80	1.9	178.7	-59.6	175.1	0	0	0	114
73	Y	67.8	Low	83.3	Confident	26 Å²	26	56 Å²	56	10%	0.102	31%	0.309	C	S	.	.	S	Bend	trans	-119.2	158.8	-173.4	44.2	-112.4	0	0	0	112.9	M71 V78 A103 Y106	M71-Y73 HydrophobicContact CB-CD1 4.14Å; M71-Y73 HydrophobicContact CB-CD2 3.77Å; M71-Y73 HydrophobicContact CB-CE1 3.91Å; M71-Y73 HydrophobicContact CB-CE2 3.53Å; M71-Y73 HydrophobicContact CB-CG 4.09Å; M71-Y73 HydrophobicContact CE-CD1 4.39Å; M71-Y73 HydrophobicContact CE-CE1 3.45Å; M71-Y73 VanDerWaalsContact CE-CE1 3.45Å; M71-Y73 WeakPolarHBondContact CE-OH 3.39Å; M71-Y73 HydrophobicContact CG-CD2 4.42Å; M71-Y73 HydrophobicContact CG-CE1 4.15Å; M71-Y73 HydrophobicContact CG-CE2 3.68Å; M71-Y73 PolarHBondContact O-N 3.45Å; Y73-V78 HydrophobicContact CD2-CG2 3.8Å; Y73-V78 HydrophobicContact CE2-CG2 3.58Å; Y73-A103 HydrophobicContact CD1-CB 4.1Å; Y73-A103 HydrophobicContact CD2-CB 4Å; Y73-A103 HydrophobicContact CE1-CB 3.68Å; Y73-A103 HydrophobicContact CE2-CB 3.55Å; Y73-A103 HydrophobicContact CG-CB 4.25Å; Y73-A103 WeakPolarHBondContact OH-CA 3.47Å; Y73-Y106 WeakPolarHBondContact OH-CD1 3.38Å
74	S	76.9	Confident	83.9	Confident	61 Å²	61	50.3 Å²	50.3	43%	0.427	27%	0.272	S	S	.	.			trans	-51.5	138.2	-179.1	-54.9	0	0	0	0	112.7	S76 V77 V78	S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 WeakPolarHBondContact CB-OG 3.41Å; S74-S76 PolarHBondContact O-N 3.23Å; S74-V77 WeakPolarHBondContact O-CB 3.49Å; S74-V77 PolarHBondContact O-N 3.23Å; S74-V78 PolarHBondContact O-N 3.1Å
75	S	81.1	Confident	84	Confident	17 Å²	17	48 Å²	48	12%	0.119	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-25.2	-178.8	60	0	0	0	0	114.1	N37 Q39 V78 C79	N37-S75 VanDerWaalsContact CG-CB 3.47Å; N37-S75 VanDerWaalsContact CG-OG 3.24Å; N37-S75 PolarHBondContact ND2-OG 2.93Å; N37-S75 WeakPolarHBondContact OD1-CB 3.28Å; N37-S75 PolarHBondContact OD1-OG 2.88Å; Q39-S75 PolarHBondContact OE1-OG 3.26Å; S75-V78 WeakPolarHBondContact O-CB 3.36Å; S75-V78 PolarHBondContact O-N 2.86Å; S75-C79 PolarHBondContact O-N 3.19Å; S75-C79 VanDerWaalsContact O-N 3.08Å; S75-C79 PolarHBondContact O-SG 3.13Å
76	S	87.3	Confident	84.2	Confident	41 Å²	41	44 Å²	44	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-54.3	-60	168.6	44.8	0	0	0	0	110.3	S74 V78 C79 D80	S74-S76 VanDerWaalsContact C-N 3.28Å; S74-S76 WeakPolarHBondContact CB-OG 3.41Å; S74-S76 PolarHBondContact O-N 3.23Å; S76-V78 CarbonylContact O-C 3.54Å; S76-V78 PolarHBondContact O-N 3.27Å; S76-C79 CarbonylContact O-C 3.54Å; S76-C79 WeakPolarHBondContact O-CA 3.36Å; S76-C79 WeakPolarHBondContact O-CB 3.41Å; S76-C79 PolarHBondContact O-N 2.91Å; S76-D80 VanDerWaalsContact O-CG 3.25Å; S76-D80 PolarHBondContact O-N 2.82Å
77	V	89.8	Confident	84.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-49.2	-39.6	178.1	-178.5	0	0	0	0	112.2	S74 L81 N99 Y100 A103	S74-V77 WeakPolarHBondContact O-CB 3.49Å; S74-V77 PolarHBondContact O-N 3.23Å; V77-L81 HydrophobicContact CG1-CD1 4.17Å; V77-L81 WeakPolarHBondContact O-CB 3.39Å; V77-L81 VanDerWaalsContact O-CG 3.31Å; V77-L81 WeakPolarHBondContact O-CG 3.32Å; V77-L81 PolarHBondContact O-N 3.42Å; V77-N99 HydrophobicContact CG1-CB 4.46Å; V77-N99 HydrophobicContact CG2-CB 4.15Å; V77-Y100 HydrophobicContact CB-CE1 4.27Å; V77-Y100 HydrophobicContact CB-CE2 4.47Å; V77-Y100 HydrophobicContact CG1-CD1 3.77Å; V77-Y100 HydrophobicContact CG1-CD2 4.21Å; V77-Y100 HydrophobicContact CG1-CE1 3.85Å; V77-Y100 HydrophobicContact CG1-CE2 4.27Å; V77-Y100 HydrophobicContact CG1-CG 3.95Å; V77-Y100 HydrophobicContact CG2-CD2 4.31Å; V77-Y100 HydrophobicContact CG2-CE1 4.42Å; V77-Y100 HydrophobicContact CG2-CE2 3.78Å; V77-A103 HydrophobicContact CG1-CB 3.84Å
78	V	89.4	Confident	84	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-63	-51.8	174.3	-173.2	0	0	0	0	110.8	A35 Y73 S74 S75 S76 L82 F107	A35-V78 HydrophobicContact CB-CB 4.4Å; A35-V78 HydrophobicContact CB-CG1 4.46Å; A35-V78 HydrophobicContact CB-CG2 4.2Å; Y73-V78 HydrophobicContact CD2-CG2 3.8Å; Y73-V78 HydrophobicContact CE2-CG2 3.58Å; S74-V78 PolarHBondContact O-N 3.1Å; S75-V78 WeakPolarHBondContact O-CB 3.36Å; S75-V78 PolarHBondContact O-N 2.86Å; S76-V78 CarbonylContact O-C 3.54Å; S76-V78 PolarHBondContact O-N 3.27Å; V78-L82 HydrophobicContact CG1-CD1 3.88Å; V78-L82 WeakPolarHBondContact O-CB 3.36Å; V78-L82 WeakPolarHBondContact O-CD1 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 2.76Å; V78-F107 HydrophobicContact CG1-CE2 4.2Å; V78-F107 HydrophobicContact CG1-CZ 4.02Å
79	C	90.3	Very high	83.9	Confident	14 Å²	14	33.9 Å²	33.9	10%	0.095	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-38.4	-178.6	-64.2	0	0	0	0	111.9	Q39 F41 S75 S76 L82 Q83	Q39-C79 VanDerWaalsContact CD-SG 3.57Å; Q39-C79 PolarHBondContact NE2-SG 3.49Å; F41-C79 HydrophobicContact CD2-CB 4.34Å; S75-C79 PolarHBondContact O-N 3.19Å; S75-C79 VanDerWaalsContact O-N 3.08Å; S75-C79 PolarHBondContact O-SG 3.13Å; S76-C79 CarbonylContact O-C 3.54Å; S76-C79 WeakPolarHBondContact O-CA 3.36Å; S76-C79 WeakPolarHBondContact O-CB 3.41Å; S76-C79 PolarHBondContact O-N 2.91Å; C79-L82 CarbonylContact O-C 3.5Å; C79-L82 PolarHBondContact O-N 3.4Å; C79-Q83 WeakPolarHBondContact O-CB 3.46Å; C79-Q83 PolarHBondContact O-N 2.98Å
80	D	90.8	Very high	84.1	Confident	63 Å²	63	33.8 Å²	33.8	34%	0.337	19%	0.193	S	C	.	.	H	α-helix	trans	-71	-39.7	-178.4	-62.5	-39.2	0	0	0	111.5	S76 Q83 S84 L90 Y100	S76-D80 VanDerWaalsContact O-CG 3.25Å; S76-D80 PolarHBondContact O-N 2.82Å; D80-Q83 PolarHBondContact O-N 2.69Å; D80-S84 WeakPolarHBondContact O-CB 3.27Å; D80-S84 PolarHBondContact O-N 3.36Å; D80-L90 HydrophobicContact CB-CD1 4.36Å; D80-Y100 HydrophobicContact CB-CE1 4.04Å; D80-Y100 PolarHBondContact OD2-OH 3.31Å
81	L	91.8	Very high	84.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.6	-47.6	169.2	-75.7	169.5	0	0	0	111.7	V77 Q83 S84 C85 L90 Y100 A103 A104 I112	V77-L81 HydrophobicContact CG1-CD1 4.17Å; V77-L81 WeakPolarHBondContact O-CB 3.39Å; V77-L81 VanDerWaalsContact O-CG 3.31Å; V77-L81 WeakPolarHBondContact O-CG 3.32Å; V77-L81 PolarHBondContact O-N 3.42Å; L81-Q83 VanDerWaalsContact C-N 3.26Å; L81-Q83 PolarHBondContact O-N 2.92Å; L81-S84 PolarHBondContact O-N 2.99Å; L81-S84 PolarHBondContact O-OG 2.73Å; L81-C85 PolarHBondContact O-N 3.37Å; L81-C85 PolarHBondContact O-SG 3.24Å; L81-C85 VanDerWaalsContact O-SG 3.4Å; L81-L90 HydrophobicContact CD2-CD1 4.18Å; L81-L90 HydrophobicContact CD2-CD2 3.78Å; L81-Y100 HydrophobicContact CD2-CD1 4.26Å; L81-Y100 HydrophobicContact CG-CD1 4.11Å; L81-A103 HydrophobicContact CD1-CB 3.43Å; L81-A103 VanDerWaalsContact CD1-CB 3.43Å; L81-A104 HydrophobicContact CD1-CB 4.4Å; L81-A104 HydrophobicContact CD2-CB 4.19Å; L81-I112 HydrophobicContact CD2-CD1 3.83Å; L81-I112 HydrophobicContact CD2-CG2 3.97Å
82	L	92.2	Very high	85.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-29.3	177.1	-67.4	170.6	0	0	0	112.9	I33 F41 L48 L55 V78 C79 C85 Y86	I33-L82 HydrophobicContact CB-CD1 4.23Å; I33-L82 HydrophobicContact CD1-CD1 3.9Å; I33-L82 HydrophobicContact CD1-CD2 3.87Å; I33-L82 HydrophobicContact CG2-CD1 4.03Å; F41-L82 HydrophobicContact CB-CD1 3.84Å; F41-L82 HydrophobicContact CD1-CB 3.83Å; F41-L82 HydrophobicContact CD1-CD1 3.9Å; F41-L82 HydrophobicContact CD1-CG 4.43Å; F41-L82 HydrophobicContact CD2-CB 3.86Å; F41-L82 HydrophobicContact CD2-CD1 4.42Å; F41-L82 HydrophobicContact CE1-CB 3.74Å; F41-L82 HydrophobicContact CE2-CB 3.76Å; F41-L82 HydrophobicContact CG-CB 3.89Å; F41-L82 HydrophobicContact CG-CD1 3.8Å; F41-L82 VanDerWaalsContact CZ-C 3.5Å; F41-L82 HydrophobicContact CZ-CB 3.69Å; F41-L82 VanDerWaalsContact CZ-O 3.31Å; F41-L82 WeakPolarHBondContact CZ-O 3.37Å; L48-L82 HydrophobicContact CD1-CD2 4.35Å; L48-L82 HydrophobicContact CD2-CB 4.46Å; L48-L82 HydrophobicContact CD2-CD2 3.76Å; L55-L82 HydrophobicContact CD1-CD2 3.66Å; V78-L82 HydrophobicContact CG1-CD1 3.88Å; V78-L82 WeakPolarHBondContact O-CB 3.36Å; V78-L82 WeakPolarHBondContact O-CD1 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.48Å; V78-L82 PolarHBondContact O-N 2.76Å; C79-L82 CarbonylContact O-C 3.5Å; C79-L82 PolarHBondContact O-N 3.4Å; L82-C85 WeakPolarHBondContact O-CB 3.38Å; L82-Y86 WeakPolarHBondContact O-CD2 3.34Å
83	Q	91.6	Very high	87	Confident	53 Å²	53	27 Å²	27	25%	0.248	15%	0.151	C	C	.	.	H	α-helix	trans	-73.1	-38.8	174.6	-179.7	58.4	41.3	0	0	111.2	N20 F41 C79 D80 L81 C85 Y86 T87	N20-Q83 PolarHBondContact OD1-NE2 3.16Å; F41-Q83 HydrophobicContact CE2-CB 4.15Å; C79-Q83 WeakPolarHBondContact O-CB 3.46Å; C79-Q83 PolarHBondContact O-N 2.98Å; D80-Q83 PolarHBondContact O-N 2.69Å; L81-Q83 VanDerWaalsContact C-N 3.26Å; L81-Q83 PolarHBondContact O-N 2.92Å; Q83-C85 PolarHBondContact O-N 3.13Å; Q83-Y86 PolarHBondContact O-N 2.94Å; Q83-T87 VanDerWaalsContact NE2-CG2 3.33Å; Q83-T87 PolarHBondContact O-N 2.76Å; Q83-T87 PolarHBondContact O-OG1 3.15Å
84	S	91.2	Very high	87.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-28.5	177.9	77.4	0	0	0	0	113.3	D80 L81 Y86 T87 G88	D80-S84 WeakPolarHBondContact O-CB 3.27Å; D80-S84 PolarHBondContact O-N 3.36Å; L81-S84 PolarHBondContact O-N 2.99Å; L81-S84 PolarHBondContact O-OG 2.73Å; S84-Y86 PolarHBondContact O-N 2.87Å; S84-Y86 VanDerWaalsContact O-N 3.08Å; S84-T87 WeakPolarHBondContact CA-OG1 3.42Å; S84-T87 PolarHBondContact O-N 2.87Å; S84-G88 WeakPolarHBondContact O-CA 3.49Å; S84-G88 PolarHBondContact O-N 2.95Å
85	C	90.6	Very high	88	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-57.1	-19.1	170.1	-56.2	0	0	0	0	114.4	V47 L48 C51 L81 L82 Q83 M109	V47-C85 HydrophobicContact CG1-CB 4.35Å; V47-C85 WeakPolarHBondContact CG1-O 3.38Å; L48-C85 HydrophobicContact CD2-CB 4.01Å; C51-C85 HydrophobicContact CB-CB 3.95Å; C51-C85 VanDerWaalsContact CB-SG 3.52Å; L81-C85 PolarHBondContact O-N 3.37Å; L81-C85 PolarHBondContact O-SG 3.24Å; L81-C85 VanDerWaalsContact O-SG 3.4Å; L82-C85 WeakPolarHBondContact O-CB 3.38Å; Q83-C85 PolarHBondContact O-N 3.13Å; C85-M109 WeakPolarHBondContact SG-CE 3.49Å
86	Y	90.4	Very high	88.3	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-111.4	-31.6	-178.5	-67.4	-98	0	0	0	113.4	M19 R23 F41 H44 V47 L48 L82 Q83 S84	M19-Y86 HydrophobicContact CB-CD1 4.33Å; M19-Y86 HydrophobicContact CB-CE1 4.42Å; R23-Y86 HydrophobicContact CB-CE1 4.26Å; R23-Y86 VanDerWaalsContact NH1-CB 3.25Å; F41-Y86 HydrophobicContact CE1-CE2 4.04Å; F41-Y86 HydrophobicContact CZ-CD2 4.22Å; F41-Y86 AromaticContact CZ-CE2 3.9Å; F41-Y86 HydrophobicContact CZ-CE2 3.9Å; H44-Y86 PolarHBondContact N-OH 2.85Å; H44-Y86 AromaticContact ND1-CE1 3.77Å; V47-Y86 HydrophobicContact CB-CE1 3.94Å; V47-Y86 HydrophobicContact CG1-CD1 4.06Å; V47-Y86 HydrophobicContact CG1-CD2 4.33Å; V47-Y86 HydrophobicContact CG1-CE1 3.82Å; V47-Y86 HydrophobicContact CG1-CE2 4.08Å; V47-Y86 HydrophobicContact CG1-CG 4.29Å; V47-Y86 HydrophobicContact CG2-CE1 3.91Å; L48-Y86 HydrophobicContact CD2-CE2 3.95Å; L48-Y86 HydrophobicContact CG-CE2 4.4Å; L82-Y86 WeakPolarHBondContact O-CD2 3.34Å; Q83-Y86 PolarHBondContact O-N 2.94Å; S84-Y86 PolarHBondContact O-N 2.87Å; S84-Y86 VanDerWaalsContact O-N 3.08Å
87	T	88.8	Confident	88.3	Confident	46 Å²	46	31.4 Å²	31.4	28%	0.282	16%	0.16	S	C	.	.	H	α-helix	trans	-91.9	-23.7	-179.3	49.3	0	0	0	0	112.8	Q83 S84 M89	Q83-T87 VanDerWaalsContact NE2-CG2 3.33Å; Q83-T87 PolarHBondContact O-N 2.76Å; Q83-T87 PolarHBondContact O-OG1 3.15Å; S84-T87 WeakPolarHBondContact CA-OG1 3.42Å; S84-T87 PolarHBondContact O-N 2.87Å; T87-M89 PolarHBondContact O-N 2.72Å; T87-M89 PolarHBondContact OG1-N 2.89Å; T87-M89 VanDerWaalsContact OG1-N 3.16Å; T87-M89 PolarHBondContact OG1-O 3.4Å
88	G	85.2	Confident	88.2	Confident	2 Å²	2	35 Å²	35	2%	0.021	18%	0.182	C	C	.	.	S	Bend	trans	66.5	8.4	-163.5	0	0	0	0	0	113.9	R7 L8 S84	R7-G88 CarbonylContact C-O 3.57Å; R7-G88 WeakPolarHBondContact CA-O 3.4Å; L8-G88 PolarHBondContact N-O 3.47Å; S84-G88 WeakPolarHBondContact O-CA 3.49Å; S84-G88 PolarHBondContact O-N 2.95Å
89	M	84.5	Confident	88.2	Confident	74 Å²	74	37.8 Å²	37.8	37%	0.365	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.5	-173.2	-61	-62	-58.9	0	0	108.6	C5 F6 R7 T87	C5-M89 WeakPolarHBondContact SG-CE 3.2Å; F6-M89 WeakPolarHBondContact O-CA 3.21Å; R7-M89 HydrophobicContact CB-CE 4.34Å; R7-M89 HydrophobicContact CB-SD 3.71Å; R7-M89 HydrophobicContact CG-SD 3.82Å; T87-M89 PolarHBondContact O-N 2.72Å; T87-M89 PolarHBondContact OG1-N 2.89Å; T87-M89 VanDerWaalsContact OG1-N 3.16Å; T87-M89 PolarHBondContact OG1-O 3.4Å
90	L	88.9	Confident	88.2	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.5	173.6	-174.7	69.2	0	0	0	108	C5 F6 D80 L81 F92 Y100 I112	C5-L90 CarbonylContact C-O 3.47Å; C5-L90 WeakPolarHBondContact CA-O 3.14Å; F6-L90 HydrophobicContact CD2-CD2 4.34Å; F6-L90 PolarHBondContact N-O 2.69Å; F6-L90 PolarHBondContact O-N 3.21Å; F6-L90 VanDerWaalsContact O-N 3.1Å; D80-L90 HydrophobicContact CB-CD1 4.36Å; L81-L90 HydrophobicContact CD2-CD1 4.18Å; L81-L90 HydrophobicContact CD2-CD2 3.78Å; L90-F92 HydrophobicContact CD2-CD1 4.28Å; L90-F92 HydrophobicContact CD2-CE1 4.06Å; L90-F92 HydrophobicContact CG-CD1 4Å; L90-F92 HydrophobicContact CG-CE1 4.18Å; L90-Y100 HydrophobicContact CD1-CD1 4.12Å; L90-Y100 HydrophobicContact CD1-CE1 3.94Å; L90-Y100 HydrophobicContact CD2-CD1 4.2Å; L90-Y100 HydrophobicContact CG-CD1 4.46Å; L90-I112 HydrophobicContact CD2-CG2 3.69Å
91	Q	86.4	Confident	88.2	Confident	122 Å²	122	36 Å²	36	57%	0.57	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.7	-178.9	-175.5	-179.2	5.5	0	0	109.8	T3 V4 C5	T3-Q91 PolarHBondContact OG1-NE2 3.34Å; V4-Q91 VanDerWaalsContact O-CA 3.27Å; V4-Q91 WeakPolarHBondContact O-CA 3.2Å; C5-Q91 HydrophobicContact CB-CG 4.4Å
92	F	87	Confident	88.1	Confident	7 Å²	7	39.1 Å²	39.1	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	167.1	-175.9	55.9	-84.3	0	0	0	112.3	T3 V4 F6 L90 I97 Y100	T3-F92 CarbonylContact C-O 3.52Å; T3-F92 WeakPolarHBondContact CA-O 3.43Å; V4-F92 HydrophobicContact CB-CD2 4.42Å; V4-F92 HydrophobicContact CB-CE1 4.37Å; V4-F92 HydrophobicContact CB-CE2 3.98Å; V4-F92 HydrophobicContact CB-CZ 3.96Å; V4-F92 HydrophobicContact CG1-CE1 4.24Å; V4-F92 HydrophobicContact CG1-CE2 4.27Å; V4-F92 HydrophobicContact CG1-CZ 3.8Å; V4-F92 HydrophobicContact CG2-CE2 4.36Å; V4-F92 PolarHBondContact N-O 2.91Å; V4-F92 PolarHBondContact O-N 2.96Å; F6-F92 AromaticContact CD2-CE1 3.88Å; F6-F92 HydrophobicContact CD2-CE1 3.88Å; F6-F92 HydrophobicContact CD2-CZ 4.33Å; F6-F92 AromaticContact CE2-CE1 3.55Å; F6-F92 HydrophobicContact CE2-CE1 3.55Å; F6-F92 AromaticContact CE2-CZ 3.54Å; F6-F92 HydrophobicContact CE2-CZ 3.54Å; F6-F92 HydrophobicContact CZ-CE1 4.27Å; F6-F92 AromaticContact CZ-CZ 3.92Å; F6-F92 HydrophobicContact CZ-CZ 3.92Å; L90-F92 HydrophobicContact CD2-CD1 4.28Å; L90-F92 HydrophobicContact CD2-CE1 4.06Å; L90-F92 HydrophobicContact CG-CD1 4Å; L90-F92 HydrophobicContact CG-CE1 4.18Å; F92-I97 HydrophobicContact CE2-CB 3.86Å; F92-I97 HydrophobicContact CE2-CD1 4.12Å; F92-I97 HydrophobicContact CE2-CG1 3.75Å; F92-I97 HydrophobicContact CZ-CG1 4.3Å; F92-Y100 HydrophobicContact CB-CD2 3.66Å; F92-Y100 HydrophobicContact CB-CE1 4.19Å; F92-Y100 HydrophobicContact CB-CE2 3.23Å; F92-Y100 HydrophobicContact CB-CG 4.32Å; F92-Y100 HydrophobicContact CD1-CD1 4.27Å; F92-Y100 HydrophobicContact CD1-CD2 4.28Å; F92-Y100 HydrophobicContact CD1-CE1 4.49Å; F92-Y100 HydrophobicContact CD1-CG 4.17Å; F92-Y100 AromaticContact CD2-CD2 3.72Å; F92-Y100 HydrophobicContact CD2-CD2 3.72Å; F92-Y100 HydrophobicContact CD2-CE2 4.19Å; F92-Y100 HydrophobicContact CD2-CG 4.19Å; F92-Y100 HydrophobicContact CE2-CD2 4.48Å; F92-Y100 HydrophobicContact CG-CD1 4.38Å; F92-Y100 AromaticContact CG-CD2 3.63Å; F92-Y100 HydrophobicContact CG-CD2 3.63Å; F92-Y100 HydrophobicContact CG-CE1 4.48Å; F92-Y100 AromaticContact CG-CE2 3.78Å; F92-Y100 HydrophobicContact CG-CE2 3.78Å; F92-Y100 AromaticContact CG-CG 3.97Å; F92-Y100 HydrophobicContact CG-CG 3.97Å
93	S	84.7	Confident	88	Confident	34 Å²	34	39.1 Å²	39.1	24%	0.238	20%	0.204	C	C	.	.			trans	-77.2	144.3	174.3	72.2	0	0	0	0	111.3	E95 E96	S93-E95 PolarHBondContact O-N 3.48Å; S93-E95 VanDerWaalsContact O-N 3.08Å; S93-E96 WeakPolarHBondContact CB-OE2 3.47Å; S93-E96 PolarHBondContact N-OE2 3.3Å; S93-E96 PolarHBondContact O-N 2.86Å; S93-E96 VanDerWaalsContact OG-CG 3.27Å; S93-E96 WeakPolarHBondContact OG-CG 3.22Å; S93-E96 PolarHBondContact OG-N 3.2Å; S93-E96 PolarHBondContact OG-OE2 3.31Å
94	P	82.1	Confident	88	Confident	12 Å²	12	36.6 Å²	36.6	8%	0.078	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.9	178.4	27.2	-35.1	0	0	0	113.3	E2 V4 I97 Y123	E2-P94 HydrophobicContact CB-CG 4.33Å; E2-P94 WeakPolarHBondContact O-CD 3.35Å; V4-P94 HydrophobicContact CG2-CB 4.16Å; P94-I97 WeakPolarHBondContact O-CG2 3.28Å; P94-Y123 HydrophobicContact CB-CD2 3.86Å; P94-Y123 HydrophobicContact CB-CE1 4.45Å; P94-Y123 HydrophobicContact CB-CE2 3.65Å; P94-Y123 HydrophobicContact CB-CG 4.35Å; P94-Y123 HydrophobicContact CG-CE2 3.93Å
95	E	84.4	Confident	88	Confident	162 Å²	162	39.3 Å²	39.3	76%	0.757	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-33.2	174.5	-60.8	-179.5	-179.7	0	0	111.7	S93 I97	S93-E95 PolarHBondContact O-N 3.48Å; S93-E95 VanDerWaalsContact O-N 3.08Å; E95-I97 VanDerWaalsContact C-N 3.33Å; E95-I97 PolarHBondContact O-N 2.97Å
96	E	86.6	Confident	88.1	Confident	58 Å²	58	43.4 Å²	43.4	27%	0.271	23%	0.228	S	C	.	.	S	Bend	trans	-84.2	-2.1	177.9	-67.1	167.5	111.5	0	0	113.8	S93 V98 N99 Y100	S93-E96 WeakPolarHBondContact CB-OE2 3.47Å; S93-E96 PolarHBondContact N-OE2 3.3Å; S93-E96 PolarHBondContact O-N 2.86Å; S93-E96 VanDerWaalsContact OG-CG 3.27Å; S93-E96 WeakPolarHBondContact OG-CG 3.22Å; S93-E96 PolarHBondContact OG-N 3.2Å; S93-E96 PolarHBondContact OG-OE2 3.31Å; E96-V98 PolarHBondContact O-N 3.05Å; E96-N99 WeakPolarHBondContact O-CA 3.34Å; E96-N99 VanDerWaalsContact O-CB 3.29Å; E96-N99 WeakPolarHBondContact O-CB 3.49Å; E96-N99 PolarHBondContact O-N 3.42Å; E96-Y100 HydrophobicContact CB-CD2 3.91Å; E96-Y100 HydrophobicContact CB-CE2 3.81Å; E96-Y100 WeakPolarHBondContact O-CD2 3.46Å; E96-Y100 PolarHBondContact O-N 2.95Å; E96-Y100 VanDerWaalsContact O-N 3.12Å
97	I	87.8	Confident	88.1	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-53.6	-32.4	-172.5	-166.9	158.6	0	0	0	113.6	F92 P94 E95 L101 A119 L120	F92-I97 HydrophobicContact CE2-CB 3.86Å; F92-I97 HydrophobicContact CE2-CD1 4.12Å; F92-I97 HydrophobicContact CE2-CG1 3.75Å; F92-I97 HydrophobicContact CZ-CG1 4.3Å; P94-I97 WeakPolarHBondContact O-CG2 3.28Å; E95-I97 VanDerWaalsContact C-N 3.33Å; E95-I97 PolarHBondContact O-N 2.97Å; I97-L101 WeakPolarHBondContact O-CB 3.41Å; I97-L101 PolarHBondContact O-N 3.26Å; I97-A119 HydrophobicContact CD1-CB 3.98Å; I97-L120 HydrophobicContact CD1-CB 3.9Å; I97-L120 HydrophobicContact CG1-CB 4.42Å; I97-L120 HydrophobicContact CG2-CD1 3.92Å
98	V	87.4	Confident	88.3	Confident	77 Å²	77	45.7 Å²	45.7	47%	0.467	24%	0.235	S	C	.	.	H	α-helix	trans	-70.1	-35.3	176.2	-176.6	0	0	0	0	111.7	E96 T102	E96-V98 PolarHBondContact O-N 3.05Å; V98-T102 HydrophobicContact CG1-CG2 4.45Å; V98-T102 WeakPolarHBondContact O-CB 3.3Å; V98-T102 WeakPolarHBondContact O-CG2 3.26Å; V98-T102 PolarHBondContact O-N 3.46Å; V98-T102 PolarHBondContact O-OG1 3.26Å
99	N	89.6	Confident	88.6	Confident	59 Å²	59	45.7 Å²	45.7	32%	0.316	24%	0.235	S	C	.	.	H	α-helix	trans	-67.8	-44.6	175.2	-58.2	-27.1	0	0	0	110.5	V77 E96 T102 A103	V77-N99 HydrophobicContact CG1-CB 4.46Å; V77-N99 HydrophobicContact CG2-CB 4.15Å; E96-N99 WeakPolarHBondContact O-CA 3.34Å; E96-N99 VanDerWaalsContact O-CB 3.29Å; E96-N99 WeakPolarHBondContact O-CB 3.49Å; E96-N99 PolarHBondContact O-N 3.42Å; N99-T102 PolarHBondContact O-OG1 3.2Å; N99-T102 VanDerWaalsContact O-OG1 3.13Å; N99-A103 WeakPolarHBondContact O-CB 3.31Å; N99-A103 PolarHBondContact O-N 3.43Å
100	Y	90.3	Very high	88.8	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.02	25%	0.251	C	S	.	.	H	α-helix	trans	-65.3	-42.2	175	-76.2	-86.4	0	0	0	112.1	V77 D80 L81 L90 F92 E96 A104	V77-Y100 HydrophobicContact CB-CE1 4.27Å; V77-Y100 HydrophobicContact CB-CE2 4.47Å; V77-Y100 HydrophobicContact CG1-CD1 3.77Å; V77-Y100 HydrophobicContact CG1-CD2 4.21Å; V77-Y100 HydrophobicContact CG1-CE1 3.85Å; V77-Y100 HydrophobicContact CG1-CE2 4.27Å; V77-Y100 HydrophobicContact CG1-CG 3.95Å; V77-Y100 HydrophobicContact CG2-CD2 4.31Å; V77-Y100 HydrophobicContact CG2-CE1 4.42Å; V77-Y100 HydrophobicContact CG2-CE2 3.78Å; D80-Y100 HydrophobicContact CB-CE1 4.04Å; D80-Y100 PolarHBondContact OD2-OH 3.31Å; L81-Y100 HydrophobicContact CD2-CD1 4.26Å; L81-Y100 HydrophobicContact CG-CD1 4.11Å; L90-Y100 HydrophobicContact CD1-CD1 4.12Å; L90-Y100 HydrophobicContact CD1-CE1 3.94Å; L90-Y100 HydrophobicContact CD2-CD1 4.2Å; L90-Y100 HydrophobicContact CG-CD1 4.46Å; F92-Y100 HydrophobicContact CB-CD2 3.66Å; F92-Y100 HydrophobicContact CB-CE1 4.19Å; F92-Y100 HydrophobicContact CB-CE2 3.23Å; F92-Y100 HydrophobicContact CB-CG 4.32Å; F92-Y100 HydrophobicContact CD1-CD1 4.27Å; F92-Y100 HydrophobicContact CD1-CD2 4.28Å; F92-Y100 HydrophobicContact CD1-CE1 4.49Å; F92-Y100 HydrophobicContact CD1-CG 4.17Å; F92-Y100 AromaticContact CD2-CD2 3.72Å; F92-Y100 HydrophobicContact CD2-CD2 3.72Å; F92-Y100 HydrophobicContact CD2-CE2 4.19Å; F92-Y100 HydrophobicContact CD2-CG 4.19Å; F92-Y100 HydrophobicContact CE2-CD2 4.48Å; F92-Y100 HydrophobicContact CG-CD1 4.38Å; F92-Y100 AromaticContact CG-CD2 3.63Å; F92-Y100 HydrophobicContact CG-CD2 3.63Å; F92-Y100 HydrophobicContact CG-CE1 4.48Å; F92-Y100 AromaticContact CG-CE2 3.78Å; F92-Y100 HydrophobicContact CG-CE2 3.78Å; F92-Y100 AromaticContact CG-CG 3.97Å; F92-Y100 HydrophobicContact CG-CG 3.97Å; E96-Y100 HydrophobicContact CB-CD2 3.91Å; E96-Y100 HydrophobicContact CB-CE2 3.81Å; E96-Y100 WeakPolarHBondContact O-CD2 3.46Å; E96-Y100 PolarHBondContact O-N 2.95Å; E96-Y100 VanDerWaalsContact O-N 3.12Å; Y100-A104 WeakPolarHBondContact O-CB 3.34Å; Y100-A104 PolarHBondContact O-N 3.47Å
101	L	90.1	Very high	88.7	Confident	35 Å²	35	52.9 Å²	52.9	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-46.9	176.6	-178.7	68.5	0	0	0	112	I97 S105 V113 C116 L120	I97-L101 WeakPolarHBondContact O-CB 3.41Å; I97-L101 PolarHBondContact O-N 3.26Å; L101-S105 WeakPolarHBondContact O-CB 3.26Å; L101-S105 PolarHBondContact O-N 2.85Å; L101-S105 PolarHBondContact O-OG 3.46Å; L101-V113 HydrophobicContact CD1-CB 4.44Å; L101-V113 HydrophobicContact CD1-CG1 3.82Å; L101-V113 WeakPolarHBondContact CD1-O 3.03Å; L101-C116 HydrophobicContact CB-CB 4.11Å; L101-C116 HydrophobicContact CD1-CB 3.65Å; L101-C116 HydrophobicContact CG-CB 4.47Å; L101-L120 HydrophobicContact CD2-CD2 4.44Å
102	T	89.3	Confident	88.8	Confident	65 Å²	65	47 Å²	47	40%	0.399	24%	0.24	S	C	.	.	H	α-helix	trans	-70.1	-41.2	-179.8	50.1	0	0	0	0	112.1	V98 N99 S105 Y106	V98-T102 HydrophobicContact CG1-CG2 4.45Å; V98-T102 WeakPolarHBondContact O-CB 3.3Å; V98-T102 WeakPolarHBondContact O-CG2 3.26Å; V98-T102 PolarHBondContact O-N 3.46Å; V98-T102 PolarHBondContact O-OG1 3.26Å; N99-T102 PolarHBondContact O-OG1 3.2Å; N99-T102 VanDerWaalsContact O-OG1 3.13Å; T102-S105 WeakPolarHBondContact O-CB 3.37Å; T102-S105 PolarHBondContact O-N 3.03Å; T102-Y106 PolarHBondContact O-N 2.84Å
103	A	91	Very high	88.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67	-42.7	175.9	0	0	0	0	0	112.9	Y73 V77 L81 N99 S105 Y106 F107	Y73-A103 HydrophobicContact CD1-CB 4.1Å; Y73-A103 HydrophobicContact CD2-CB 4Å; Y73-A103 HydrophobicContact CE1-CB 3.68Å; Y73-A103 HydrophobicContact CE2-CB 3.55Å; Y73-A103 HydrophobicContact CG-CB 4.25Å; Y73-A103 WeakPolarHBondContact OH-CA 3.47Å; V77-A103 HydrophobicContact CG1-CB 3.84Å; L81-A103 HydrophobicContact CD1-CB 3.43Å; L81-A103 VanDerWaalsContact CD1-CB 3.43Å; N99-A103 WeakPolarHBondContact O-CB 3.31Å; N99-A103 PolarHBondContact O-N 3.43Å; A103-S105 VanDerWaalsContact C-N 3.29Å; A103-S105 PolarHBondContact O-N 2.93Å; A103-Y106 PolarHBondContact O-N 2.97Å; A103-F107 WeakPolarHBondContact O-CD2 3.33Å; A103-F107 PolarHBondContact O-N 3.13Å
104	A	91.8	Very high	89.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-36.7	173.5	0	0	0	0	0	111.8	L81 Y100 F107 Q108 M109 I112 V113	L81-A104 HydrophobicContact CD1-CB 4.4Å; L81-A104 HydrophobicContact CD2-CB 4.19Å; Y100-A104 WeakPolarHBondContact O-CB 3.34Å; Y100-A104 PolarHBondContact O-N 3.47Å; A104-F107 CarbonylContact O-C 3.49Å; A104-F107 PolarHBondContact O-N 3Å; A104-Q108 PolarHBondContact O-N 3.31Å; A104-M109 HydrophobicContact CB-CB 4.38Å; A104-M109 PolarHBondContact O-N 2.85Å; A104-I112 HydrophobicContact CB-CB 4.04Å; A104-I112 HydrophobicContact CB-CG2 3.87Å; A104-V113 HydrophobicContact CB-CG2 3.75Å
105	S	91.7	Very high	89.3	Confident	58 Å²	58	53.2 Å²	53.2	41%	0.406	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-42.2	174.8	-60	0	0	0	0	112	L101 T102 A103 Q108	L101-S105 WeakPolarHBondContact O-CB 3.26Å; L101-S105 PolarHBondContact O-N 2.85Å; L101-S105 PolarHBondContact O-OG 3.46Å; T102-S105 WeakPolarHBondContact O-CB 3.37Å; T102-S105 PolarHBondContact O-N 3.03Å; A103-S105 VanDerWaalsContact C-N 3.29Å; A103-S105 PolarHBondContact O-N 2.93Å; S105-Q108 PolarHBondContact O-N 3.31Å; S105-Q108 VanDerWaalsContact O-N 3.09Å
106	Y	91.2	Very high	89.5	Confident	86 Å²	86	45.5 Å²	45.5	34%	0.337	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-45.2	174.5	175.6	-92.1	0	0	0	112.1	F54 V69 M71 Y73 T102 A103 Q108	F54-Y106 HydrophobicContact CD1-CE1 4.33Å; F54-Y106 AromaticContact CE1-CE1 3.67Å; F54-Y106 HydrophobicContact CE1-CE1 3.67Å; F54-Y106 AromaticContact CZ-CE1 3.79Å; F54-Y106 HydrophobicContact CZ-CE1 3.79Å; F54-Y106 AromaticContact CZ-CZ 3.66Å; F54-Y106 WeakPolarHBondContact CZ-OH 3.17Å; V69-Y106 HydrophobicContact CG1-CE1 3.62Å; M71-Y106 HydrophobicContact CE-CD1 3.93Å; M71-Y106 HydrophobicContact CE-CD2 3.35Å; M71-Y106 HydrophobicContact CE-CE1 4.13Å; M71-Y106 HydrophobicContact CE-CE2 3.55Å; M71-Y106 HydrophobicContact CE-CG 3.54Å; M71-Y106 HydrophobicContact SD-CD1 4.04Å; M71-Y106 HydrophobicContact SD-CD2 4.02Å; M71-Y106 HydrophobicContact SD-CE1 3.67Å; M71-Y106 HydrophobicContact SD-CE2 3.62Å; M71-Y106 HydrophobicContact SD-CG 4.21Å; Y73-Y106 WeakPolarHBondContact OH-CD1 3.38Å; T102-Y106 PolarHBondContact O-N 2.84Å; A103-Y106 PolarHBondContact O-N 2.97Å; Y106-Q108 PolarHBondContact O-N 2.72Å
107	F	91.8	Very high	89.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	2.5	175.1	-69	-61.9	0	0	0	113.9	S52 F54 L55 V69 V78 A103 A104 M109	S52-F107 WeakPolarHBondContact CB-O 3.37Å; S52-F107 PolarHBondContact OG-O 3.49Å; F54-F107 AromaticContact CD1-CD1 3.93Å; F54-F107 HydrophobicContact CD1-CD1 3.93Å; F54-F107 HydrophobicContact CD1-CE1 4.46Å; F54-F107 HydrophobicContact CE1-CD1 4.35Å; F54-F107 HydrophobicContact CE1-CE1 4.47Å; L55-F107 HydrophobicContact CD1-CD1 4.31Å; L55-F107 HydrophobicContact CD2-CD1 4.15Å; L55-F107 HydrophobicContact CD2-CE1 4.05Å; L55-F107 HydrophobicContact CG-CD1 4.09Å; L55-F107 HydrophobicContact CG-CE1 4.43Å; V69-F107 HydrophobicContact CG1-CE1 4.18Å; V69-F107 HydrophobicContact CG1-CZ 4.1Å; V78-F107 HydrophobicContact CG1-CE2 4.2Å; V78-F107 HydrophobicContact CG1-CZ 4.02Å; A103-F107 WeakPolarHBondContact O-CD2 3.33Å; A103-F107 PolarHBondContact O-N 3.13Å; A104-F107 CarbonylContact O-C 3.49Å; A104-F107 PolarHBondContact O-N 3Å; F107-M109 HydrophobicContact CB-CG 3.68Å; F107-M109 HydrophobicContact CB-SD 3.74Å; F107-M109 HydrophobicContact CG-SD 4.48Å; F107-M109 PolarHBondContact O-N 3.3Å
108	Q	92.8	Very high	89.4	Confident	96 Å²	96	49 Å²	49	45%	0.449	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	33.4	-179.3	-58.7	173.1	6.9	0	0	113.1	P53 F54 A104 S105 Y106 E110	P53-Q108 HydrophobicContact CB-CB 4.28Å; P53-Q108 VanDerWaalsContact CD-O 3.27Å; P53-Q108 WeakPolarHBondContact CD-O 3.4Å; P53-Q108 HydrophobicContact CG-CB 4.29Å; F54-Q108 HydrophobicContact CB-CB 4.34Å; F54-Q108 HydrophobicContact CB-CG 4.12Å; A104-Q108 PolarHBondContact O-N 3.31Å; S105-Q108 PolarHBondContact O-N 3.31Å; S105-Q108 VanDerWaalsContact O-N 3.09Å; Y106-Q108 PolarHBondContact O-N 2.72Å; Q108-E110 VanDerWaalsContact C-N 3.27Å; Q108-E110 PolarHBondContact O-N 3.02Å; Q108-E110 VanDerWaalsContact O-N 3.09Å
109	M	91.4	Very high	89.2	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.231	C	C	.	.			trans	-87.7	65	-178.3	-58.3	179.5	81.1	0	0	109.6	C51 C85 A104 F107 H111 I112 V113	C51-M109 HydrophobicContact CB-CE 4.09Å; C85-M109 WeakPolarHBondContact SG-CE 3.49Å; A104-M109 HydrophobicContact CB-CB 4.38Å; A104-M109 PolarHBondContact O-N 2.85Å; F107-M109 HydrophobicContact CB-CG 3.68Å; F107-M109 HydrophobicContact CB-SD 3.74Å; F107-M109 HydrophobicContact CG-SD 4.48Å; F107-M109 PolarHBondContact O-N 3.3Å; M109-H111 PolarHBondContact O-N 3.08Å; M109-H111 VanDerWaalsContact O-N 3.11Å; M109-I112 HydrophobicContact CB-CB 4.3Å; M109-I112 HydrophobicContact CB-CD1 4.15Å; M109-I112 HydrophobicContact CB-CG1 4.19Å; M109-I112 HydrophobicContact CE-CD1 3.52Å; M109-I112 WeakPolarHBondContact O-CA 3.38Å; M109-I112 WeakPolarHBondContact O-CB 3.46Å; M109-I112 PolarHBondContact O-N 3.21Å; M109-I112 HydrophobicContact SD-CD1 4.12Å; M109-V113 PolarHBondContact O-N 3.22Å
110	E	88.8	Confident	89	Confident	153 Å²	153	45.7 Å²	45.7	72%	0.715	23%	0.227	S	C	*	.	H	α-helix	trans	-51.6	-39	-169.9	-64.3	177.9	162.9	0	0	113.3	Q108 I112 V113 E114	Q108-E110 VanDerWaalsContact C-N 3.27Å; Q108-E110 PolarHBondContact O-N 3.02Å; Q108-E110 VanDerWaalsContact O-N 3.09Å; E110-I112 VanDerWaalsContact C-N 3.26Å; E110-I112 PolarHBondContact O-N 3.43Å; E110-V113 PolarHBondContact O-N 2.97Å; E110-V113 VanDerWaalsContact O-N 3.15Å; E110-E114 PolarHBondContact O-N 2.99Å
111	H	86.6	Confident	88.6	Confident	75 Å²	75	50.4 Å²	50.4	35%	0.347	25%	0.249	S	C	.	.	H	α-helix	trans	-64.1	-23.9	176.6	63.4	-87.4	0	0	0	114.5	C51 M109 R115	C51-H111 PolarHBondContact O-CE1 2.79Å; M109-H111 PolarHBondContact O-N 3.08Å; M109-H111 VanDerWaalsContact O-N 3.11Å; H111-R115 WeakPolarHBondContact O-CD 3.15Å; H111-R115 WeakPolarHBondContact O-CG 3.32Å
112	I	88.1	Confident	88.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-85.9	-43.1	170.5	-55.4	-174.3	0	0	0	109.8	L8 L81 L90 A104 M109 E110 E114 R115 C116	L8-I112 HydrophobicContact CD1-CD1 4.38Å; L8-I112 HydrophobicContact CD1-CG1 4.4Å; L8-I112 HydrophobicContact CD2-CG1 4.35Å; L81-I112 HydrophobicContact CD2-CD1 3.83Å; L81-I112 HydrophobicContact CD2-CG2 3.97Å; L90-I112 HydrophobicContact CD2-CG2 3.69Å; A104-I112 HydrophobicContact CB-CB 4.04Å; A104-I112 HydrophobicContact CB-CG2 3.87Å; M109-I112 HydrophobicContact CB-CB 4.3Å; M109-I112 HydrophobicContact CB-CD1 4.15Å; M109-I112 HydrophobicContact CB-CG1 4.19Å; M109-I112 HydrophobicContact CE-CD1 3.52Å; M109-I112 WeakPolarHBondContact O-CA 3.38Å; M109-I112 WeakPolarHBondContact O-CB 3.46Å; M109-I112 PolarHBondContact O-N 3.21Å; M109-I112 HydrophobicContact SD-CD1 4.12Å; E110-I112 VanDerWaalsContact C-N 3.26Å; E110-I112 PolarHBondContact O-N 3.43Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 2.69Å; I112-R115 PolarHBondContact O-N 3.27Å; I112-C116 WeakPolarHBondContact O-CB 3.46Å; I112-C116 PolarHBondContact O-N 2.61Å; I112-C116 PolarHBondContact O-SG 3.43Å; I112-C116 VanDerWaalsContact O-SG 3.34Å
113	V	90	Very high	87.5	Confident	18 Å²	18	53.3 Å²	53.3	11%	0.109	25%	0.251	C	S	.	.	H	α-helix	trans	-55.6	-46.4	179.6	174.4	0	0	0	0	111.6	L101 A104 M109 E110 R115 C116 R117	L101-V113 HydrophobicContact CD1-CB 4.44Å; L101-V113 HydrophobicContact CD1-CG1 3.82Å; L101-V113 WeakPolarHBondContact CD1-O 3.03Å; A104-V113 HydrophobicContact CB-CG2 3.75Å; M109-V113 PolarHBondContact O-N 3.22Å; E110-V113 PolarHBondContact O-N 2.97Å; E110-V113 VanDerWaalsContact O-N 3.15Å; V113-R115 PolarHBondContact O-N 3.42Å; V113-C116 PolarHBondContact O-N 3.33Å; V113-R117 PolarHBondContact O-N 3.11Å
114	E	88.8	Confident	86.9	Confident	103 Å²	103	56.9 Å²	56.9	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-40.9	-179.5	-158.6	56.2	-126.8	0	0	111.9	E110 I112 R117 A118	E110-E114 PolarHBondContact O-N 2.99Å; I112-E114 VanDerWaalsContact C-N 3.33Å; I112-E114 PolarHBondContact O-N 2.69Å; E114-R117 PolarHBondContact O-N 2.84Å; E114-R117 IonicContact OE1-CZ 3.71Å; E114-R117 IonicContact OE1-NH1 2.7Å; E114-R117 PolarHBondContact OE1-NH1 2.88Å; E114-R117 IonicContact OE2-CZ 3.5Å; E114-R117 IonicContact OE2-NH1 2.71Å; E114-R117 PolarHBondContact OE2-NH1 3.06Å; E114-R117 IonicContact OE2-NH2 3.59Å; E114-A118 PolarHBondContact O-N 3.15Å
115	R	86.1	Confident	86	Confident	61 Å²	61	62.3 Å²	62.3	23%	0.23	30%	0.298	C	S	.	.	H	α-helix	trans	-70.8	-37	178	-70.1	179.5	161.8	-148.6	-9	112.2	F6 R7 H111 I112 V113 R117 A119 E210	F6-R115 HydrophobicContact CD1-CB 4.43Å; F6-R115 HydrophobicContact CD2-CB 4.28Å; F6-R115 HydrophobicContact CE1-CB 4.3Å; F6-R115 HydrophobicContact CE2-CB 4.15Å; F6-R115 HydrophobicContact CG-CB 4.43Å; F6-R115 HydrophobicContact CZ-CB 4.17Å; F6-R115 VanDerWaalsContact CZ-O 3.26Å; F6-R115 WeakPolarHBondContact CZ-O 3.46Å; R7-R115 PolarHBondContact O-NH1 3.03Å; H111-R115 WeakPolarHBondContact O-CD 3.15Å; H111-R115 WeakPolarHBondContact O-CG 3.32Å; I112-R115 PolarHBondContact O-N 3.27Å; V113-R115 PolarHBondContact O-N 3.42Å; R115-R117 VanDerWaalsContact C-N 3.34Å; R115-A119 VanDerWaalsContact O-CB 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.42Å; R115-A119 PolarHBondContact O-N 3.33Å; R115-E210 IonicContact NH2-OE2 2.97Å; R115-E210 PolarHBondContact NH2-OE2 2.98Å
116	C	87.8	Confident	84.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.6	-39.8	169.1	-71.2	0	0	0	0	111.8	L101 I112 V113 L120	L101-C116 HydrophobicContact CB-CB 4.11Å; L101-C116 HydrophobicContact CD1-CB 3.65Å; L101-C116 HydrophobicContact CG-CB 4.47Å; I112-C116 WeakPolarHBondContact O-CB 3.46Å; I112-C116 PolarHBondContact O-N 2.61Å; I112-C116 PolarHBondContact O-SG 3.43Å; I112-C116 VanDerWaalsContact O-SG 3.34Å; V113-C116 PolarHBondContact O-N 3.33Å; C116-L120 VanDerWaalsContact O-CB 3.28Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; C116-L120 PolarHBondContact O-N 3.26Å
117	R	88.1	Confident	83.7	Confident	99 Å²	99	68.5 Å²	68.5	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-52.8	177.2	-167.5	-170.6	-58.4	125.9	11.7	111.6	V113 E114 R115 A119 L120 E121	V113-R117 PolarHBondContact O-N 3.11Å; E114-R117 PolarHBondContact O-N 2.84Å; E114-R117 IonicContact OE1-CZ 3.71Å; E114-R117 IonicContact OE1-NH1 2.7Å; E114-R117 PolarHBondContact OE1-NH1 2.88Å; E114-R117 IonicContact OE2-CZ 3.5Å; E114-R117 IonicContact OE2-NH1 2.71Å; E114-R117 PolarHBondContact OE2-NH1 3.06Å; E114-R117 IonicContact OE2-NH2 3.59Å; R115-R117 VanDerWaalsContact C-N 3.34Å; R117-A119 VanDerWaalsContact C-N 3.26Å; R117-A119 PolarHBondContact O-N 3.06Å; R117-L120 WeakPolarHBondContact O-CB 3.45Å; R117-L120 PolarHBondContact O-N 3.48Å; R117-E121 WeakPolarHBondContact CD-OE1 3.45Å; R117-E121 WeakPolarHBondContact CG-OE1 3.33Å; R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.82Å
118	A	84.2	Confident	82.3	Confident	38 Å²	38	72.9 Å²	72.9	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-34.2	179.3	0	0	0	0	0	112.9	E114 R122	E114-A118 PolarHBondContact O-N 3.15Å; A118-R122 VanDerWaalsContact O-CG 3.31Å; A118-R122 WeakPolarHBondContact O-CG 3.47Å; A118-R122 PolarHBondContact O-N 2.94Å
119	A	84.2	Confident	80.5	Confident	19 Å²	19	72.3 Å²	72.3	16%	0.157	35%	0.354	C	S	.	.	H	α-helix	trans	-71.7	-38.3	173.1	0	0	0	0	0	112.9	V4 F6 I97 R115 R117 Y123	V4-A119 HydrophobicContact CG1-CB 4.28Å; F6-A119 HydrophobicContact CE1-CB 3.89Å; F6-A119 HydrophobicContact CZ-CB 3.67Å; I97-A119 HydrophobicContact CD1-CB 3.98Å; R115-A119 VanDerWaalsContact O-CB 3.3Å; R115-A119 WeakPolarHBondContact O-CB 3.42Å; R115-A119 PolarHBondContact O-N 3.33Å; R117-A119 VanDerWaalsContact C-N 3.26Å; R117-A119 PolarHBondContact O-N 3.06Å; A119-Y123 WeakPolarHBondContact O-CB 3.03Å; A119-Y123 PolarHBondContact O-N 3.23Å
120	L	84.6	Confident	78.7	Confident	47 Å²	47	79 Å²	79	25%	0.246	39%	0.389	C	S	.	.	H	α-helix	trans	-64.7	-44.4	175.8	175.3	59.7	0	0	0	111.5	I97 L101 C116 R117 R122 Y123 V124	I97-L120 HydrophobicContact CD1-CB 3.9Å; I97-L120 HydrophobicContact CG1-CB 4.42Å; I97-L120 HydrophobicContact CG2-CD1 3.92Å; L101-L120 HydrophobicContact CD2-CD2 4.44Å; C116-L120 VanDerWaalsContact O-CB 3.28Å; C116-L120 WeakPolarHBondContact O-CB 3.47Å; C116-L120 PolarHBondContact O-N 3.26Å; R117-L120 WeakPolarHBondContact O-CB 3.45Å; R117-L120 PolarHBondContact O-N 3.48Å; L120-R122 PolarHBondContact O-N 3.37Å; L120-Y123 PolarHBondContact O-N 3.27Å; L120-V124 HydrophobicContact CD1-CG2 4.04Å; L120-V124 WeakPolarHBondContact O-CG2 3.46Å; L120-V124 PolarHBondContact O-N 3.3Å
121	E	82.3	Confident	76.7	Confident	103 Å²	103	78 Å²	78	48%	0.481	39%	0.388	S	S	.	.	H	α-helix	trans	-58	-48.6	176.8	-72.8	166.8	-170.7	0	0	111.4	R117 Y123 V124 Q125	R117-E121 WeakPolarHBondContact CD-OE1 3.45Å; R117-E121 WeakPolarHBondContact CG-OE1 3.33Å; R117-E121 WeakPolarHBondContact O-CG 3.42Å; R117-E121 PolarHBondContact O-N 2.82Å; E121-Y123 PolarHBondContact O-N 3.21Å; E121-V124 PolarHBondContact O-N 3.49Å; E121-Q125 VanDerWaalsContact O-CG 3.26Å; E121-Q125 WeakPolarHBondContact O-CG 3.45Å; E121-Q125 PolarHBondContact O-N 3.36Å
122	R	79.6	Confident	74.8	Confident	108 Å²	108	81.8 Å²	81.8	41%	0.408	41%	0.41	S	S	.	.	H	α-helix	trans	-61.8	-40.4	174.7	-69.3	171.7	-177.4	-179.8	-0.3	112.5	A118 L120 Q125 L126	A118-R122 VanDerWaalsContact O-CG 3.31Å; A118-R122 WeakPolarHBondContact O-CG 3.47Å; A118-R122 PolarHBondContact O-N 2.94Å; L120-R122 PolarHBondContact O-N 3.37Å; R122-Q125 PolarHBondContact O-N 2.93Å; R122-L126 WeakPolarHBondContact O-CB 3.45Å; R122-L126 WeakPolarHBondContact O-CD1 3.45Å; R122-L126 VanDerWaalsContact O-CG 3.28Å; R122-L126 WeakPolarHBondContact O-CG 3.43Å; R122-L126 PolarHBondContact O-N 3.21Å
123	Y	77	Confident	72.4	Confident	54 Å²	54	89.8 Å²	89.8	21%	0.212	45%	0.445	C	S	.	.	H	α-helix	trans	-66	-39.3	177.1	-176	-102.6	0	0	0	112.1	P94 A119 L120 E121 L126 K127	P94-Y123 HydrophobicContact CB-CD2 3.86Å; P94-Y123 HydrophobicContact CB-CE1 4.45Å; P94-Y123 HydrophobicContact CB-CE2 3.65Å; P94-Y123 HydrophobicContact CB-CG 4.35Å; P94-Y123 HydrophobicContact CG-CE2 3.93Å; A119-Y123 WeakPolarHBondContact O-CB 3.03Å; A119-Y123 PolarHBondContact O-N 3.23Å; L120-Y123 PolarHBondContact O-N 3.27Å; E121-Y123 PolarHBondContact O-N 3.21Å; Y123-L126 PolarHBondContact O-N 3.11Å; Y123-K127 HydrophobicContact CE1-CD 3.75Å; Y123-K127 VanDerWaalsContact O-CB 3.26Å; Y123-K127 WeakPolarHBondContact O-CB 3.39Å; Y123-K127 PolarHBondContact O-N 3.36Å; Y123-K127 PolarHBondContact OH-NZ 3.19Å
124	V	78.3	Confident	69.9	Low	75 Å²	75	97.6 Å²	97.6	46%	0.455	48%	0.483	S	S	.	.	H	α-helix	trans	-65.7	-43.2	174.6	171	0	0	0	0	111.1	L120 E121 K127 N128	L120-V124 HydrophobicContact CD1-CG2 4.04Å; L120-V124 WeakPolarHBondContact O-CG2 3.46Å; L120-V124 PolarHBondContact O-N 3.3Å; E121-V124 PolarHBondContact O-N 3.49Å; V124-K127 PolarHBondContact O-N 3.28Å; V124-N128 PolarHBondContact O-N 2.77Å
125	Q	72	Confident	67.9	Low	114 Å²	114	101.7 Å²	101.7	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-46.5	174.7	-70.8	163.4	1.2	0	0	111.8	E121 R122 K127 N128	E121-Q125 VanDerWaalsContact O-CG 3.26Å; E121-Q125 WeakPolarHBondContact O-CG 3.45Å; E121-Q125 PolarHBondContact O-N 3.36Å; R122-Q125 PolarHBondContact O-N 2.93Å; Q125-K127 VanDerWaalsContact C-N 3.29Å; Q125-K127 PolarHBondContact O-N 2.97Å; Q125-N128 CarbonylContact O-C 3.52Å; Q125-N128 PolarHBondContact O-N 3.28Å
126	L	67.1	Low	65.4	Low	143 Å²	143	107.8 Å²	107.8	75%	0.749	53%	0.533	S	S	*	.	H	α-helix	trans	-63.9	-31.9	177	-75.9	165.3	0	0	0	113.1	R122 Y123	R122-L126 WeakPolarHBondContact O-CB 3.45Å; R122-L126 WeakPolarHBondContact O-CD1 3.45Å; R122-L126 VanDerWaalsContact O-CG 3.28Å; R122-L126 WeakPolarHBondContact O-CG 3.43Å; R122-L126 PolarHBondContact O-N 3.21Å; Y123-L126 PolarHBondContact O-N 3.11Å
127	K	69.1	Low	63	Low	131 Å²	131	116.3 Å²	116.3	57%	0.57	58%	0.578	S	S	*	*	H	α-helix	trans	-86.5	-21.9	-178.9	-158.4	164	-170	169.2	0	113.3	Y123 V124 Q125	Y123-K127 HydrophobicContact CE1-CD 3.75Å; Y123-K127 VanDerWaalsContact O-CB 3.26Å; Y123-K127 WeakPolarHBondContact O-CB 3.39Å; Y123-K127 PolarHBondContact O-N 3.36Å; Y123-K127 PolarHBondContact OH-NZ 3.19Å; V124-K127 PolarHBondContact O-N 3.28Å; Q125-K127 VanDerWaalsContact C-N 3.29Å; Q125-K127 PolarHBondContact O-N 2.97Å
128	N	61.1	Low	60.6	Low	91 Å²	91	114.5 Å²	114.5	49%	0.487	59%	0.591	S	S	.	*			trans	-128.8	63.5	177.3	-75.8	-41.9	0	0	0	112.9	V124 Q125 N130 L131	V124-N128 PolarHBondContact O-N 2.77Å; Q125-N128 CarbonylContact O-C 3.52Å; Q125-N128 PolarHBondContact O-N 3.28Å; N128-N130 PolarHBondContact O-N 3.02Å; N128-L131 HydrophobicContact CB-CB 4.49Å; N128-L131 HydrophobicContact CB-CD1 4.41Å; N128-L131 PolarHBondContact O-N 2.92Å
129	P	56.6	Low	58.4	Low	85 Å²	85	121.7 Å²	121.7	55%	0.552	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-3.3	-177.3	28.6	-37.2	0	0	0	115.3
130	N	52.3	Low	55.8	Low	141 Å²	141	127.4 Å²	127.4	75%	0.754	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	1.7	-177.9	-70	-20.6	0	0	0	114.2	N128	N128-N130 PolarHBondContact O-N 3.02Å
131	L	46.9	Very low	53.1	Low	133 Å²	133	135.7 Å²	135.7	70%	0.696	68%	0.678	S	S	*	*	S	Bend	trans	-94.6	-3	-177.3	-110.7	167	0	0	0	114.9	N128	N128-L131 HydrophobicContact CB-CB 4.49Å; N128-L131 HydrophobicContact CB-CD1 4.41Å; N128-L131 PolarHBondContact O-N 2.92Å
132	L	47.3	Very low	50.6	Low	155 Å²	155	136.8 Å²	136.8	81%	0.812	70%	0.695	S	S	*	*	S	Bend	trans	-134.5	54.1	174.5	-69.1	174.9	0	0	0	110.8
133	K	37.3	Very low	48.1	Very low	167 Å²	167	137.6 Å²	137.6	73%	0.726	71%	0.711	S	S	*	*			trans	-133.6	54.7	169	-75.3	-164.3	173.7	-171.3	0	111.1
134	M	38.4	Very low	46	Very low	183 Å²	183	142.1 Å²	142.1	90%	0.901	74%	0.737	S	S	*	*	S	Bend	trans	-143.7	45.5	172.8	-82.6	-61.6	-160.5	0	0	110.7
135	E	45.3	Very low	43.5	Very low	189 Å²	189	146.1 Å²	146.1	88%	0.883	76%	0.756	S	S	*	*	S	Bend	trans	-165.6	151.2	153.4	-109.1	153.9	-149.1	0	0	109.2
136	E	34.4	Very low	41.2	Very low	189 Å²	189	146.5 Å²	146.5	88%	0.883	77%	0.771	S	S	*	*			trans	66.5	88.3	-171	-56.5	-144.8	125.6	0	0	117.9	G138	E136-G138 PolarHBondContact O-N 2.97Å
137	D	37.3	Very low	39.2	Very low	178 Å²	178	144.4 Å²	144.4	95%	0.952	77%	0.774	S	S	*	*			trans	-79	88.5	161.6	-151.4	-14.1	0	0	0	109.1
138	G	37.7	Very low	37.1	Very low	62 Å²	62	144.8 Å²	144.8	64%	0.639	78%	0.782	S	S	*	*			trans	-124	36	-161.9	0	0	0	0	0	116.2	E136 V140	E136-G138 PolarHBondContact O-N 2.97Å; G138-V140 PolarHBondContact O-N 3.23Å
139	Q	37.3	Very low	35.6	Very low	189 Å²	189	146.2 Å²	146.2	88%	0.883	79%	0.794	S	S	*	*			trans	11.6	89.8	169.5	-166.8	-175.7	-60.9	0	0	119.1
140	V	29.8	Very low	34.2	Very low	138 Å²	138	150.2 Å²	150.2	84%	0.836	81%	0.805	S	S	*	*			trans	-133.8	136.5	154.9	-174.3	0	0	0	0	110.3	G138	G138-V140 PolarHBondContact O-N 3.23Å
141	R	28.1	Very low	32.9	Very low	221 Å²	221	148.6 Å²	148.6	83%	0.834	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-85.7	149.6	178.1	-72.7	178.4	174.2	170.4	-2.2	111.3	V143	R141-V143 PolarHBondContact O-N 3.08Å
142	P	30.8	Very low	32.1	Very low	127 Å²	127	148.6 Å²	148.6	83%	0.825	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-68	126.2	177.4	28.4	-34.5	0	0	0	111.5
143	V	27	Very low	31	Very low	125 Å²	125	145.7 Å²	145.7	76%	0.758	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-98.7	127	168.3	178.2	0	0	0	0	108.5	R141 L145	R141-V143 PolarHBondContact O-N 3.08Å; V143-L145 HydrophobicContact CG1-CG 4.38Å
144	I	31.9	Very low	30.5	Very low	148 Å²	148	143.2 Å²	143.2	76%	0.759	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.7	124.6	175.6	-58.5	172.1	0	0	0	108.4
145	L	25	Very low	30.7	Very low	160 Å²	160	139.6 Å²	139.6	84%	0.838	80%	0.802	S	S	*	*			trans	-128.7	105.8	166.6	-73.6	176.7	0	0	0	110.1	V143	V143-L145 HydrophobicContact CG1-CG 4.38Å
146	S	24.5	Very low	29.7	Very low	121 Å²	121	137.6 Å²	137.6	85%	0.846	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77.5	121.9	168.3	-58.8	0	0	0	0	109.6
147	A	25.9	Very low	29.2	Very low	99 Å²	99	133.9 Å²	133.9	82%	0.818	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-99	120.6	169.8	0	0	0	0	0	109.7
148	N	25	Very low	28.5	Very low	140 Å²	140	130.9 Å²	130.9	75%	0.749	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-88.7	147.4	-179.4	-166.4	29.8	0	0	0	111.4
149	V	28.4	Very low	28	Very low	120 Å²	120	136.2 Å²	136.2	73%	0.727	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-99.5	119.4	-173.6	-175.3	0	0	0	0	111.3
150	H	27.4	Very low	27.9	Very low	170 Å²	170	132.2 Å²	132.2	79%	0.787	77%	0.774	S	S	*	*			trans	-135.4	161.9	162.1	-75.8	-62.3	0	0	0	110.9
151	S	26	Very low	27.6	Very low	106 Å²	106	130.7 Å²	130.7	74%	0.741	77%	0.769	S	S	*	*			trans	-150.4	164.7	-154.8	-168.1	0	0	0	0	113.4
152	V	28.4	Very low	28.1	Very low	134 Å²	134	125 Å²	125	81%	0.812	76%	0.761	S	S	*	*			trans	72.8	145.5	166.2	-141.6	0	0	0	0	119
153	A	25.8	Very low	27.8	Very low	93 Å²	93	125.6 Å²	125.6	77%	0.769	76%	0.756	S	S	*	*			trans	91.3	113.2	149.6	0	0	0	0	0	120.7
154	S	26.2	Very low	27.7	Very low	115 Å²	115	127.4 Å²	127.4	80%	0.804	76%	0.756	S	S	*	*			trans	-84.3	-176.2	150.8	-39.5	0	0	0	0	109
155	P	41.6	Very low	27.4	Very low	108 Å²	108	127.6 Å²	127.6	70%	0.701	75%	0.754	S	S	*	*			cis	-150.7	-178	20.4	41.1	-17.8	0	0	0	120
156	L	25.1	Very low	27.4	Very low	146 Å²	146	128.2 Å²	128.2	76%	0.764	75%	0.752	S	S	*	*			trans	102.6	122.4	133.8	-124.5	75.5	0	0	0	122.9
157	T	23.9	Very low	27.4	Very low	112 Å²	112	127.8 Å²	127.8	69%	0.687	75%	0.749	S	S	*	*			trans	67.5	107.3	139.8	42.4	0	0	0	0	124.4
158	T	23.1	Very low	28.2	Very low	114 Å²	114	128.7 Å²	128.7	70%	0.699	75%	0.746	S	S	*	*				89.4	104.1	109.2	-56.9	0	0	0	0	122.6
159	Q	27.8	Very low	28.2	Very low	175 Å²	175	126 Å²	126	82%	0.818	74%	0.744	S	S	*	*			trans	64.3	161.5	143.2	-56	-97.7	1.3	0	0	119
160	P	35	Very low	28	Very low	105 Å²	105	126.3 Å²	126.3	68%	0.682	75%	0.746	S	S	*	*			cis	-133.8	-175.5	-49	38.1	-21.8	0	0	0	114.8
161	S	21.9	Very low	27.9	Very low	105 Å²	105	125.1 Å²	125.1	73%	0.734	74%	0.744	S	S	*	*			trans	-58.6	178.2	165	56.8	0	0	0	0	113.9
162	P	38.7	Very low	27.8	Very low	102 Å²	102	125.8 Å²	125.8	66%	0.662	74%	0.743	S	S	*	*			cis	-155.6	-163.9	31.3	45.6	-23	0	0	0	118.9
163	I	25.3	Very low	27.8	Very low	140 Å²	140	125.8 Å²	125.8	72%	0.718	74%	0.738	S	S	*	*			trans	74.2	140.7	154	-81.1	163.7	0	0	0	115.3
164	E	24.7	Very low	27.9	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	74%	0.738	S	S	*	*			cis	-146.6	-165.9	1.6	-137.7	158.7	-154.7	0	0	114.1
165	Q	25.5	Very low	28.1	Very low	152 Å²	152	131.9 Å²	131.9	71%	0.71	74%	0.738	S	S	*	*			trans	-93.5	176.4	-167.2	-59.2	167.1	-42.2	0	0	114.8
166	H	26.2	Very low	27.5	Very low	172 Å²	172	134.6 Å²	134.6	80%	0.796	74%	0.741	S	S	*	*			trans	117.7	147.5	149.6	-63.8	-70.6	0	0	0	119.8
167	S	24.1	Very low	27.6	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	74%	0.738	S	S	*	*			trans	-105.6	-157.4	-172.8	-39.4	0	0	0	0	110
168	P	41.6	Very low	27.9	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	74%	0.74	S	S	*	*			cis	-142	-174.7	-10.1	41.7	-22.6	0	0	0	116.8
169	A	25	Very low	28.1	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	75%	0.745	S	S	*	*			trans	81.5	168.7	138.6	0	0	0	0	0	122.9
170	V	25.3	Very low	28.2	Very low	125 Å²	125	134.8 Å²	134.8	76%	0.758	75%	0.748	S	S	*	*			trans	80.8	105.7	171.9	-167.7	0	0	0	0	114.3
171	I	25.4	Very low	27.9	Very low	146 Å²	146	135.7 Å²	135.7	75%	0.749	76%	0.757	S	S	*	*				76.1	132.3	62.1	-61.5	162.8	0	0	0	110.3
172	T	23.7	Very low	28.3	Very low	119 Å²	119	135.6 Å²	135.6	73%	0.73	76%	0.763	S	S	*	*			cis	-150.9	-164	26.1	-16.3	0	0	0	0	112.3
173	L	28.4	Very low	27.9	Very low	134 Å²	134	139.9 Å²	139.9	70%	0.702	77%	0.774	S	S	*	*			trans	93.3	132.3	155.7	-48.6	-173	0	0	0	116.5
174	E	28.1	Very low	27.9	Very low	163 Å²	163	142.3 Å²	142.3	76%	0.762	78%	0.782	S	S	*	*			cis	-164	-175.6	-15.3	-140.6	153.1	-156.8	0	0	112
175	E	30.5	Very low	28.2	Very low	173 Å²	173	139.5 Å²	139.5	81%	0.808	79%	0.787	S	S	*	*			trans	68.8	82.6	161.5	-66.3	-176.8	157.2	0	0	121.8
176	E	28	Very low	28.2	Very low	165 Å²	165	135.8 Å²	135.8	77%	0.771	79%	0.789	S	S	*	*				44.6	143.9	115.9	-61.4	-151.9	159.3	0	0	126.3
177	N	28.3	Very low	28.3	Very low	132 Å²	132	134.6 Å²	134.6	71%	0.706	79%	0.788	S	S	*	*			trans	68.5	138.8	150.7	-58.3	-34.3	0	0	0	118.9
178	S	28.6	Very low	28.7	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	79%	0.786	S	S	*	*			cis	-144.6	145.8	20.5	-57.2	0	0	0	0	115.2
179	E	28.7	Very low	28.7	Very low	173 Å²	173	134.1 Å²	134.1	81%	0.808	79%	0.785	S	S	*	*			trans	22.5	127.8	142.3	-52	-173.8	118	0	0	122
180	T	28.7	Very low	28.9	Very low	144 Å²	144	135.8 Å²	135.8	88%	0.883	79%	0.786	S	S	*	*				-171	147.9	94.8	22	0	0	0	0	112.4
181	S	28.2	Very low	29.2	Very low	124 Å²	124	137 Å²	137	87%	0.867	79%	0.788	S	S	*	*			trans	-114.7	145.5	-173	-61.6	0	0	0	0	113.3
182	A	30.9	Very low	29.2	Very low	104 Å²	104	136.7 Å²	136.7	86%	0.86	79%	0.788	S	S	*	*			trans	-152.5	145.3	147.2	0	0	0	0	0	109.3
183	Q	29.9	Very low	29.7	Very low	192 Å²	192	137.1 Å²	137.1	90%	0.897	78%	0.781	S	S	*	*			trans	-117	169.2	-171.3	-68.8	175.9	-53.9	0	0	112.9
184	H	26.7	Very low	30.1	Very low	190 Å²	190	136.8 Å²	136.8	88%	0.88	79%	0.787	S	S	*	*			trans	-55.8	171.8	169.2	-52.7	-85.2	0	0	0	112.5
185	A	30.4	Very low	29.9	Very low	105 Å²	105	135.4 Å²	135.4	87%	0.868	79%	0.785	S	S	*	*			cis	-157.5	175.2	23.1	0	0	0	0	0	113.2
186	G	26.1	Very low	29.7	Very low	73 Å²	73	130.4 Å²	130.4	75%	0.753	77%	0.773	S	S	*	*			trans	-179.3	84.1	173.7	0	0	0	0	0	114.6
187	D	26.7	Very low	29.6	Very low	148 Å²	148	131.9 Å²	131.9	79%	0.791	78%	0.777	S	S	*	*			trans	34.1	113	158.1	-85.6	-66.9	0	0	0	123.9
188	S	32.6	Very low	29.4	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	78%	0.778	S	S	*	*				73	149.7	114.4	-60.5	0	0	0	0	121.7
189	P	41.6	Very low	29.2	Very low	115 Å²	115	133.4 Å²	133.4	75%	0.747	78%	0.781	S	S	*	*			trans	-130	-174.1	-144.6	34	-12.7	0	0	0	115.8
190	V	29.3	Very low	29.1	Very low	121 Å²	121	129.6 Å²	129.6	73%	0.733	78%	0.779	S	S	*	*				153.5	135	129.9	160	0	0	0	0	113.3
191	L	31.2	Very low	29	Very low	150 Å²	150	132 Å²	132	79%	0.785	78%	0.783	S	S	*	*			trans	69.3	138.6	-179.6	-45.6	-174.3	0	0	0	117.2
192	D	26.2	Very low	29.1	Very low	140 Å²	140	129.7 Å²	129.7	75%	0.749	78%	0.778	S	S	*	*			cis	-157.6	170.8	-24.5	-130.1	-43.7	0	0	0	111.5
193	E	35.3	Very low	29.1	Very low	128 Å²	128	134 Å²	134	60%	0.598	78%	0.781	S	S	*	*			trans	-48.5	153.7	179.9	-89.1	-69.9	107.4	0	0	116.6	D195	E193-D195 WeakPolarHBondContact OE2-CA 3.32Å; E193-D195 PolarHBondContact OE2-N 3.44Å
194	P	35.5	Very low	29.4	Very low	126 Å²	126	134.3 Å²	134.3	82%	0.818	78%	0.782	S	S	*	*				-139.9	157.1	54.3	40.1	-21.5	0	0	0	121
195	D	24.9	Very low	29.4	Very low	135 Å²	135	133.1 Å²	133.1	72%	0.722	78%	0.783	S	S	*	*			trans	-36.4	149.1	-178	-126	-28.6	0	0	0	122.5	E193	E193-D195 WeakPolarHBondContact OE2-CA 3.32Å; E193-D195 PolarHBondContact OE2-N 3.44Å
196	A	24.9	Very low	29.4	Very low	68 Å²	68	135 Å²	135	56%	0.562	77%	0.773	S	S	*	*			trans	-56.4	-178.7	154.7	0	0	0	0	0	114.4
197	K	26.4	Very low	29.4	Very low	196 Å²	196	139.1 Å²	139.1	85%	0.852	78%	0.778	S	S	*	*			cis	-152.5	154.9	-6	-126.7	158.5	-166.6	169.3	0	112.9
198	V	25	Very low	29.5	Very low	120 Å²	120	141.3 Å²	141.3	73%	0.727	78%	0.775	S	S	*	*			trans	-47.2	160.4	167.7	-144.8	0	0	0	0	116.9
199	N	23.5	Very low	29.6	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	77%	0.774	S	S	*	*			trans	100.4	99.7	146.9	-75.8	-21.7	0	0	0	121.9
200	A	26.7	Very low	29.3	Very low	93 Å²	93	142.6 Å²	142.6	77%	0.769	77%	0.769	S	S	*	*				64.9	113.5	112.4	0	0	0	0	0	121.5
201	M	26.6	Very low	29.6	Very low	195 Å²	195	144.9 Å²	144.9	96%	0.961	78%	0.777	S	S	*	*				-148	155	120.5	-107	174.7	-174.7	0	0	109
202	G	30.1	Very low	30	Very low	75 Å²	75	144.3 Å²	144.3	77%	0.773	77%	0.765	S	S	*	*			trans	-118.3	145.3	169	0	0	0	0	0	109.1
203	E	31.4	Very low	30.4	Very low	196 Å²	196	140.4 Å²	140.4	92%	0.916	75%	0.749	S	S	*	*			trans	-124.5	133.7	171.2	-67.6	-170.2	145.4	0	0	109
204	E	36	Very low	30.5	Very low	198 Å²	198	139.1 Å²	139.1	93%	0.925	75%	0.75	S	S	*	*			trans	-89	114.4	175.1	-58.7	175.4	152.4	0	0	107.5
205	D	26.8	Very low	30.3	Very low	165 Å²	165	140 Å²	140	88%	0.882	74%	0.738	S	S	*	*			trans	-86.4	135.1	-178.9	-157.5	-5	0	0	0	111.8	N207	D205-N207 PolarHBondContact O-N 3.28Å
206	E	29.7	Very low	30.6	Very low	143 Å²	143	141.2 Å²	141.2	67%	0.668	73%	0.732	S	S	*	*			trans	-87.9	96.8	-156.4	-166.4	-165.3	119.6	0	0	111.3	R208	E206-R208 VanDerWaalsContact C-N 3.28Å; E206-R208 PolarHBondContact O-N 2.87Å; E206-R208 IonicContact OE1-NE 3.75Å
207	N	27.4	Very low	30.7	Very low	160 Å²	160	141.8 Å²	141.8	86%	0.856	73%	0.728	S	S	*	*			trans	-71.5	77.6	-177.9	-167.7	13.1	0	0	0	112.8	D205	D205-N207 PolarHBondContact O-N 3.28Å
208	R	29.3	Very low	30.8	Very low	195 Å²	195	141.1 Å²	141.1	74%	0.736	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-56.2	130.8	178.4	-77	-180	164.4	-172	-5.1	112.1	E206 E210	E206-R208 VanDerWaalsContact C-N 3.28Å; E206-R208 PolarHBondContact O-N 2.87Å; E206-R208 IonicContact OE1-NE 3.75Å; R208-E210 PolarHBondContact O-N 2.9Å
209	P	34.3	Very low	31.1	Very low	107 Å²	107	140.4 Å²	140.4	70%	0.695	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-70.9	119.8	175.4	28.5	-33.2	0	0	0	111.2	D211	P209-D211 PolarHBondContact O-N 3.34Å
210	E	35.6	Very low	31.3	Very low	138 Å²	138	137.2 Å²	137.2	65%	0.645	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-63.1	131	159.2	-68.3	-162.3	158.3	0	0	109.1	R115 R208 Y212	R115-E210 IonicContact NH2-OE2 2.97Å; R115-E210 PolarHBondContact NH2-OE2 2.98Å; R208-E210 PolarHBondContact O-N 2.9Å; E210-Y212 WeakPolarHBondContact O-CD1 3.22Å; E210-Y212 PolarHBondContact O-N 3.46Å
211	D	34.9	Very low	31.6	Very low	169 Å²	169	142 Å²	142	90%	0.904	70%	0.704	S	S	*	*			trans	-58.8	105.7	-177.2	-82.7	-47.2	0	0	0	113.4	P209	P209-D211 PolarHBondContact O-N 3.34Å
212	Y	40.4	Very low	32.2	Very low	138 Å²	138	140 Å²	140	54%	0.541	69%	0.692	S	S	.	*			trans	-111.9	98.9	165.3	56.4	-90.8	0	0	0	110.7	E210 V214	E210-Y212 WeakPolarHBondContact O-CD1 3.22Å; E210-Y212 PolarHBondContact O-N 3.46Å; Y212-V214 HydrophobicContact CD2-CG2 4.4Å; Y212-V214 PolarHBondContact O-N 3.46Å
213	S	33.3	Very low	32.5	Very low	58 Å²	58	144.3 Å²	144.3	41%	0.406	69%	0.692	S	S	.	*			trans	-87.7	90.9	175.5	45.3	0	0	0	0	112.1	Y215	S213-Y215 VanDerWaalsContact CB-CE2 3.49Å; S213-Y215 VanDerWaalsContact CB-CZ 3.49Å; S213-Y215 VanDerWaalsContact O-CD2 3.28Å; S213-Y215 WeakPolarHBondContact O-CD2 3.38Å; S213-Y215 PolarHBondContact O-N 3.09Å; S213-Y215 VanDerWaalsContact OG-CE2 3.27Å; S213-Y215 WeakPolarHBondContact OG-CE2 3.27Å; S213-Y215 PolarHBondContact OG-OH 3.05Å
214	V	37.3	Very low	32.9	Very low	101 Å²	101	142.5 Å²	142.5	61%	0.612	69%	0.688	S	S	*	*			trans	-78.9	92.2	170.5	-178.6	0	0	0	0	109.2	Y212 R216	Y212-V214 HydrophobicContact CD2-CG2 4.4Å; Y212-V214 PolarHBondContact O-N 3.46Å; V214-R216 PolarHBondContact O-N 3.46Å
215	Y	31.1	Very low	32.9	Very low	146 Å²	146	136.7 Å²	136.7	57%	0.573	67%	0.674	S	S	*	*			trans	-77.6	117.5	-179.5	-63.3	-76.9	0	0	0	112.4	S213 V217	S213-Y215 VanDerWaalsContact CB-CE2 3.49Å; S213-Y215 VanDerWaalsContact CB-CZ 3.49Å; S213-Y215 VanDerWaalsContact O-CD2 3.28Å; S213-Y215 WeakPolarHBondContact O-CD2 3.38Å; S213-Y215 PolarHBondContact O-N 3.09Å; S213-Y215 VanDerWaalsContact OG-CE2 3.27Å; S213-Y215 WeakPolarHBondContact OG-CE2 3.27Å; S213-Y215 PolarHBondContact OG-OH 3.05Å; Y215-V217 PolarHBondContact O-N 3.09Å; Y215-V217 VanDerWaalsContact O-N 3.16Å
216	R	31	Very low	33.3	Very low	160 Å²	160	135.8 Å²	135.8	60%	0.604	67%	0.669	S	S	*	*			trans	-77.2	91	162.2	-99.3	-170.1	167.3	176.7	-2.1	110.3	E2 V214 Y218	E2-R216 IonicContact OE1-CZ 3.19Å; E2-R216 IonicContact OE1-NE 2.75Å; E2-R216 PolarHBondContact OE1-NE 3.05Å; E2-R216 IonicContact OE1-NH2 2.75Å; E2-R216 PolarHBondContact OE1-NH2 3.41Å; V214-R216 PolarHBondContact O-N 3.46Å; R216-Y218 HydrophobicContact CB-CE2 4.17Å; R216-Y218 PolarHBondContact O-N 2.71Å
217	V	27.5	Very low	33.7	Very low	79 Å²	79	139.4 Å²	139.4	48%	0.479	68%	0.676	S	S	.	*			trans	-85	97	171.2	-173.7	0	0	0	0	109.8	M1 Y215 I219	M1-V217 PolarHBondContact N-O 3.49Å; Y215-V217 PolarHBondContact O-N 3.09Å; Y215-V217 VanDerWaalsContact O-N 3.16Å; V217-I219 HydrophobicContact CG1-CG1 4.3Å; V217-I219 PolarHBondContact O-N 2.7Å
218	Y	28.1	Very low	33.8	Very low	183 Å²	183	140 Å²	140	72%	0.718	68%	0.679	S	S	*	*			trans	-71.1	115.3	163.2	-69.5	-87.9	0	0	0	108.6	R216	R216-Y218 HydrophobicContact CB-CE2 4.17Å; R216-Y218 PolarHBondContact O-N 2.71Å
219	I	31.6	Very low	34	Very low	104 Å²	104	134.1 Å²	134.1	53%	0.533	68%	0.679	S	S	.	*			trans	-93.9	119.7	164.1	-59	173.8	0	0	0	104.9	V217	V217-I219 HydrophobicContact CG1-CG1 4.3Å; V217-I219 PolarHBondContact O-N 2.7Å
220	P	28	Very low	33.9	Very low	78 Å²	78	138.3 Å²	138.3	51%	0.506	69%	0.69	S	S	.	*			trans	-56.4	145.7	174.6	-24.6	35.1	0	0	0	111	E222	P220-E222 PolarHBondContact O-N 3.23Å
221	K	33.2	Very low	33.9	Very low	194 Å²	194	136.5 Å²	136.5	84%	0.843	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	5.2	-177.6	-81.4	-170.9	170.7	-173.5	0	114.2
222	E	38.8	Very low	33.6	Very low	153 Å²	153	134.6 Å²	134.6	72%	0.715	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-26.3	-166.4	-68.9	159.8	-114.2	0	0	112.9	P220 L224	P220-E222 PolarHBondContact O-N 3.23Å; E222-L224 PolarHBondContact O-N 2.83Å
223	E	36.9	Very low	33.3	Very low	165 Å²	165	136.4 Å²	136.4	77%	0.771	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-7.6	177	-67.8	-171	124.8	0	0	114.5
224	L	38.8	Very low	32.9	Very low	159 Å²	159	137.4 Å²	137.4	83%	0.832	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	4.8	176.5	-76.3	171.8	0	0	0	113.8	E222	E222-L224 PolarHBondContact O-N 2.83Å
225	A	35.9	Very low	32.4	Very low	76 Å²	76	140.2 Å²	140.2	63%	0.628	73%	0.73	S	S	*	*	S	Bend	trans	-98.1	-10.2	-177.7	0	0	0	0	0	114.8
226	N	36.2	Very low	32.3	Very low	146 Å²	146	138.8 Å²	138.8	78%	0.781	74%	0.741	S	S	*	*	S	Bend	trans	-115	49.5	-170.6	-71.9	-18.6	0	0	0	113.2
227	R	37.5	Very low	32.2	Very low	218 Å²	218	136 Å²	136	82%	0.823	75%	0.752	S	S	*	*	S	Bend	trans	-138.4	3.1	179	-86.4	-142.2	64.6	-172	-3.8	118
228	D	31	Very low	32.1	Very low	173 Å²	173	139.1 Å²	139.1	93%	0.925	77%	0.766	S	S	*	*	S	Bend	trans	-126.5	104.9	172.2	-69.4	-63.9	0	0	0	110
229	G	32.2	Very low	32.1	Very low	71 Å²	71	136.5 Å²	136.5	73%	0.732	77%	0.769	S	S	*	*			trans	168.1	126.9	176.9	0	0	0	0	0	113.9
230	E	31.7	Very low	32.6	Very low	195 Å²	195	136.7 Å²	136.7	91%	0.911	78%	0.777	S	S	*	*			trans	60.6	134	171.1	-59.1	-57.9	88.5	0	0	120
231	A	35.7	Very low	32.6	Very low	100 Å²	100	141.1 Å²	141.1	83%	0.826	79%	0.791	S	S	*	*			trans	-154	117.8	168.4	0	0	0	0	0	111.2
232	D	30.4	Very low	32.1	Very low	130 Å²	130	137.9 Å²	137.9	70%	0.695	78%	0.782	S	S	*	*			trans	-164.8	157	149.9	-154.3	9.1	0	0	0	112.5
233	K	32.5	Very low	31.5	Very low	176 Å²	176	137.4 Å²	137.4	77%	0.765	78%	0.784	S	S	*	*			trans	17.5	139.8	162.2	-72.6	161.2	-162.2	72.4	0	122.5
234	G	26.3	Very low	30.9	Very low	78 Å²	78	135.4 Å²	135.4	80%	0.804	79%	0.787	S	S	*	*			trans	166.8	119.2	148.3	0	0	0	0	0	115
235	D	26.3	Very low	30.4	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	79%	0.788	S	S	*	*			trans	-82.6	151.1	-175.8	-64.9	-77.1	0	0	0	115.6
236	S	28.2	Very low	30.1	Very low	116 Å²	116	140.1 Å²	140.1	81%	0.811	79%	0.794	S	S	*	*			trans	33.6	125.8	148.3	64.9	0	0	0	0	122.5
237	A	29.3	Very low	29.9	Very low	100 Å²	100	141.5 Å²	141.5	83%	0.826	80%	0.796	S	S	*	*				179.2	167.9	122.4	0	0	0	0	0	114.6
238	D	26.5	Very low	29.4	Very low	146 Å²	146	136.3 Å²	136.3	78%	0.781	79%	0.788	S	S	*	*			trans	-55.3	134.3	-171.5	-59.4	-76.6	0	0	0	121
239	V	27.1	Very low	29.2	Very low	128 Å²	128	133 Å²	133	78%	0.776	77%	0.771	S	S	*	*				35.9	138.9	105.6	170.9	0	0	0	0	119.2
240	P	42.8	Very low	28.9	Very low	107 Å²	107	138.5 Å²	138.5	70%	0.695	77%	0.769	S	S	*	*			cis	-139.6	-139.6	-24.4	39.4	-15.9	0	0	0	112.8
241	Q	26.5	Very low	28.5	Very low	171 Å²	171	137.4 Å²	137.4	80%	0.799	77%	0.768	S	S	*	*			trans	79.1	141.4	169.9	-72.1	175.7	13.4	0	0	117.3
242	D	24.6	Very low	27.8	Very low	126 Å²	126	140.7 Å²	140.7	67%	0.674	76%	0.764	S	S	*	*			cis	-160.3	175.7	-14	-139.4	-35.6	0	0	0	112.6
243	L	24.8	Very low	27.6	Very low	144 Å²	144	142.4 Å²	142.4	75%	0.754	77%	0.772	S	S	*	*			trans	52.4	107.9	154.1	-66.3	167.6	0	0	0	120.6
244	C	25.1	Very low	27.2	Very low	123 Å²	123	138.6 Å²	138.6	83%	0.831	77%	0.773	S	S	*	*				168.9	122.4	105.1	-98.3	0	0	0	0	113.6
245	Y	28.2	Very low	27.2	Very low	218 Å²	218	137.8 Å²	137.8	86%	0.855	76%	0.764	S	S	*	*			trans	-131.3	144.2	162.5	-112.3	-86.8	0	0	0	109
246	P	29.1	Very low	27.1	Very low	116 Å²	116	138.5 Å²	138.5	75%	0.753	77%	0.768	S	S	*	*			trans	-138.9	106.8	143.3	33.3	-17.5	0	0	0	112.5
247	E	33.2	Very low	26.9	Very low	175 Å²	175	135.8 Å²	135.8	82%	0.818	76%	0.758	S	S	*	*			trans	-76.5	149.6	140.5	-67.5	-168.8	136.2	0	0	108.1
248	T	27.3	Very low	26.8	Very low	108 Å²	108	136.2 Å²	136.2	66%	0.663	76%	0.755	S	S	*	*			trans	-166.3	135.6	157	6.1	0	0	0	0	114.1
249	N	26.1	Very low	26.8	Very low	104 Å²	104	138 Å²	138	56%	0.556	76%	0.759	S	S	*	*			trans	70.9	143.9	143.4	-62.6	-32.8	0	0	0	119.2
250	R	26	Very low	26.7	Very low	186 Å²	186	138 Å²	138	70%	0.702	76%	0.764	S	S	*	*			cis	-162	152	-5.6	-121.9	161.2	-153.4	176	3.1	111.7	F252	R250-F252 HydrophobicContact CG-CD2 4.37Å
251	I	22.3	Very low	25.7	Very low	172 Å²	172	140.3 Å²	140.3	88%	0.882	77%	0.77	S	S	*	*				-157.4	146.6	118.3	-96.8	152.4	0	0	0	107
252	F	22.5	Very low	25.8	Very low	170 Å²	170	140.5 Å²	140.5	75%	0.746	78%	0.775	S	S	*	*			trans	-132.7	141.1	-172.1	-114	-87.2	0	0	0	110	R250	R250-F252 HydrophobicContact CG-CD2 4.37Å
253	I	25.6	Very low	25.7	Very low	166 Å²	166	141.6 Å²	141.6	85%	0.851	78%	0.781	S	S	*	*			trans	-138.1	145	149	-62.3	-172.3	0	0	0	107.1
254	A	24.3	Very low	25.8	Very low	95 Å²	95	140.4 Å²	140.4	79%	0.785	79%	0.785	S	S	*	*			trans	-81.8	171.8	-173.2	0	0	0	0	0	113.2
255	G	24.6	Very low	25.9	Very low	61 Å²	61	138.7 Å²	138.7	63%	0.629	78%	0.779	S	S	*	*			cis	176.2	-172.4	1.7	0	0	0	0	0	113.1
256	D	25.3	Very low	25.8	Very low	177 Å²	177	137.5 Å²	137.5	95%	0.947	78%	0.782	S	S	*	*			trans	60.2	145.4	171.6	-52.6	-18.5	0	0	0	117.8
257	G	24.2	Very low	25.6	Very low	58 Å²	58	138.6 Å²	138.6	60%	0.598	78%	0.781	S	S	*	*			cis	171.8	158.7	-5.1	0	0	0	0	0	111.5
258	S	27	Very low	25.3	Very low	110 Å²	110	137 Å²	137	77%	0.769	78%	0.777	S	S	*	*			trans	60.4	125.2	-173.9	59.1	0	0	0	0	115.7
259	E	25.6	Very low	25.1	Very low	182 Å²	182	136.9 Å²	136.9	85%	0.85	78%	0.781	S	S	*	*			cis	75.6	110.9	48.1	-66.2	-177.5	117.6	0	0	114.8
260	C	25.2	Very low	25	Very low	130 Å²	130	141.6 Å²	141.6	88%	0.878	80%	0.797	S	S	*	*				178.5	119.6	125.8	-89.1	0	0	0	0	109.9
261	D	22.7	Very low	24.8	Very low	154 Å²	154	136.2 Å²	136.2	82%	0.824	80%	0.799	S	S	*	*			trans	-75.4	166.1	168.2	-56	-82.2	0	0	0	112.1
262	L	27.7	Very low	24.9	Very low	175 Å²	175	131.7 Å²	131.7	92%	0.916	80%	0.795	S	S	*	*				179.6	141.1	117.8	-95.6	168.5	0	0	0	112.5
263	D	23.9	Very low	25.1	Very low	150 Å²	150	131.2 Å²	131.2	80%	0.802	80%	0.8	S	S	*	*			trans	-77.6	152	176.2	-83.3	-62.3	0	0	0	114.2
264	S	26.9	Very low	25.2	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	81%	0.805	S	S	*	*			trans	177.3	110.2	137	-75.6	0	0	0	0	107.8
265	A	26.8	Very low	25.2	Very low	87 Å²	87	135.2 Å²	135.2	72%	0.719	80%	0.803	S	S	*	*			cis	86.2	131.5	46.9	0	0	0	0	0	114.3
266	E	26.3	Very low	25.1	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	82%	0.817	S	S	*	*			trans	67.5	153.4	167	-54.9	-163.4	171.3	0	0	120.3
267	D	25.1	Very low	25.1	Very low	139 Å²	139	144.9 Å²	144.9	74%	0.743	81%	0.814	S	S	*	*			cis	-164.6	-173.3	-40	-164.9	8.5	0	0	0	108.7
268	L	25	Very low	25.2	Very low	141 Å²	141	153.5 Å²	153.5	74%	0.738	83%	0.828	S	S	*	*			trans	80.9	86.7	160.7	-53	-176.4	0	0	0	119.8
269	S	24	Very low	25.1	Very low	106 Å²	106	159.5 Å²	159.5	74%	0.741	83%	0.834	S	S	*	*				58.3	145.7	106.5	-154.6	0	0	0	0	123.6
270	F	23.9	Very low	25.3	Very low	203 Å²	203	159.2 Å²	159.2	89%	0.89	84%	0.837	S	S	*	*			trans	87.8	102.4	147.1	-127.8	-92.9	0	0	0	122.5
271	G	22.9	Very low	25.2	Very low	73 Å²	73	158.6 Å²	158.6	75%	0.753	83%	0.834	S	S	*	*				99.9	124.3	123.3	0	0	0	0	0	121.7
272	G	22.8	Very low	25.4	Very low	77 Å²	77	158.7 Å²	158.7	79%	0.794	83%	0.83	S	S	*	*			trans	104.6	81	130.9	0	0	0	0	0	121.2
273	L	27.4	Very low	25.5	Very low	161 Å²	161	156.5 Å²	156.5	84%	0.843	83%	0.826	S	S	*	*			trans	10.4	120.4	146.4	-65.5	168.1	0	0	0	120.3
274	R	26.8	Very low	25.6	Very low	254 Å²	254	158.1 Å²	158.1	96%	0.958	83%	0.826	S	S	*	*				-168.1	160.9	117.3	-108.5	159.2	-69.4	-159.8	4.8	113.6
275	A	26	Very low	25.7	Very low	91 Å²	91	160.3 Å²	160.3	75%	0.752	83%	0.827	S	S	*	*			trans	-104.7	158.2	-170.8	0	0	0	0	0	113.6
276	F	22.5	Very low	25.7	Very low	207 Å²	207	161.7 Å²	161.7	91%	0.908	83%	0.831	S	S	*	*			trans	-143.8	137.8	161.2	-113.2	-78.7	0	0	0	112.9
277	R	25.5	Very low	25.8	Very low	234 Å²	234	164.4 Å²	164.4	88%	0.883	83%	0.833	S	S	*	*			trans	-90.1	130.4	173.1	-74.3	177.5	167.8	-173.6	-2.9	111.5
278	R	25.8	Very low	25.8	Very low	238 Å²	238	161.6 Å²	161.6	90%	0.898	84%	0.837	S	S	*	*			trans	-143.3	119.1	140.7	-61.3	-169.4	-174.4	-153.8	1.3	106.3
279	R	25.1	Very low	26.1	Very low	237 Å²	237	167.5 Å²	167.5	89%	0.894	85%	0.85	S	S	*	*				81.3	116.2	50.8	-164.8	-169.6	-63.5	-98.9	9.4	111.6
280	L	28.2	Very low	26.2	Very low	175 Å²	175	166.3 Å²	166.3	92%	0.916	85%	0.854	S	S	*	*			trans	-68.2	161.8	-178	-64.5	162	0	0	0	113.4
281	S	23.3	Very low	26.8	Very low	117 Å²	117	167.2 Å²	167.2	82%	0.818	86%	0.858	S	S	*	*			trans	-146.7	131.1	168.3	52.8	0	0	0	0	111.7
282	E	28	Very low	27	Very low	156 Å²	156	167.4 Å²	167.4	73%	0.729	86%	0.859	S	S	*	*			trans	-79.8	160.3	175.7	-43.7	168.3	132	0	0	112.5	K284	E282-K284 WeakPolarHBondContact OE2-CE 3.45Å
283	P	28.9	Very low	27.4	Very low	130 Å²	130	175.8 Å²	175.8	84%	0.844	87%	0.867	S	S	*	*			trans	-97.5	143.6	147.7	34.7	-28	0	0	0	111.5
284	K	26.7	Very low	27.4	Very low	183 Å²	183	171.6 Å²	171.6	80%	0.796	86%	0.863	S	S	*	*			trans	-105.1	158.5	-171.9	-74.7	177.8	177.4	173.4	0	114.6	E282	E282-K284 WeakPolarHBondContact OE2-CE 3.45Å
285	I	28.2	Very low	27.6	Very low	165 Å²	165	171.9 Å²	171.9	85%	0.846	86%	0.864	S	S	*	*			trans	-62.8	137	175.8	-61.9	159	0	0	0	111.8
286	S	26.2	Very low	27.8	Very low	115 Å²	115	171.1 Å²	171.1	80%	0.804	87%	0.865	S	S	*	*			trans	-109.9	142.1	161.1	60.9	0	0	0	0	110.7
287	R	29.4	Very low	28.1	Very low	251 Å²	251	170.4 Å²	170.4	95%	0.947	86%	0.862	S	S	*	*			trans	-99.2	134.3	-179	-73.2	176.8	170.7	169.4	-3.3	111.1
288	G	24.3	Very low	28.4	Very low	80 Å²	80	169.2 Å²	169.2	83%	0.825	86%	0.863	S	S	*	*			trans	-125.3	136.4	163.6	0	0	0	0	0	111.1
289	R	31.9	Very low	28.5	Very low	265 Å²	265	167 Å²	167	100%	1	86%	0.86	S	S	*	*			trans	-98.7	132.7	173	-86.6	-175.3	169.1	-174.2	-1.5	110.1
290	G	25.9	Very low	28.7	Very low	81 Å²	81	167.1 Å²	167.1	84%	0.835	86%	0.86	S	S	*	*			trans	-146.6	128.8	167.2	0	0	0	0	0	111.4
291	K	36.7	Very low	28.4	Very low	222 Å²	222	168.1 Å²	168.1	97%	0.965	86%	0.857	S	S	*	*			trans	-94.7	127.7	169	-81.9	-179.2	171.8	179.3	0	108.5
292	G	27.6	Very low	28.5	Very low	76 Å²	76	174.2 Å²	174.2	78%	0.784	86%	0.862	S	S	*	*			trans	-155.6	118.2	178.8	0	0	0	0	0	113
293	R	31.6	Very low	28.3	Very low	254 Å²	254	170.1 Å²	170.1	96%	0.958	86%	0.862	S	S	*	*			trans	-59.1	142.5	-176.9	-56.2	169.8	-175.3	-90.5	3.7	112.3
294	G	27.6	Very low	28	Very low	73 Å²	73	169.2 Å²	169.2	75%	0.753	86%	0.858	S	S	*	*			trans	-94.6	165.5	175.3	0	0	0	0	0	114.8
295	R	31.1	Very low	27.8	Very low	260 Å²	260	166.1 Å²	166.1	98%	0.981	86%	0.86	S	S	*	*			trans	-171.4	160.1	156.1	-114.4	-170	-75.4	-124.4	8.3	109.5
296	G	28.9	Very low	27.7	Very low	75 Å²	75	166.3 Å²	166.3	77%	0.773	86%	0.857	S	S	*	*			trans	117.2	92.1	158.5	0	0	0	0	0	116.8
297	F	29.9	Very low	27.6	Very low	192 Å²	192	168.2 Å²	168.2	84%	0.842	85%	0.853	S	S	*	*			trans	-61.4	144	152.5	-88.5	-105	0	0	0	110
298	K	31.1	Very low	27.4	Very low	208 Å²	208	164.4 Å²	164.4	90%	0.904	84%	0.844	S	S	*	*			trans	-153.4	95.7	145.5	-114.7	166	-172.8	177.5	0	111
299	K	28.8	Very low	27.4	Very low	193 Å²	193	171.7 Å²	171.7	84%	0.839	85%	0.846	S	S	*	*			trans	-56	135.5	162.3	-64.6	179.3	178.5	-179.8	0	107.9
300	R	27.6	Very low	27	Very low	239 Å²	239	163.6 Å²	163.6	90%	0.902	83%	0.83	S	S	*	*			trans	-110.4	107.7	160.6	-151.3	-179.9	-62.9	-140.2	7.9	108.9
301	K	23.1	Very low	27.7	Very low	196 Å²	196	165.5 Å²	165.5	85%	0.852	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-69.5	122.8	-179.3	-174.8	-176.5	-176.8	-173.5	0	108.6
302	W	24.6	Very low	27	Very low	245 Å²	245	161.1 Å²	161.1	93%	0.928	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-85.5	139.5	157.5	-92.6	53.9	0	0	0	108.2
303	G	25	Very low	27	Very low	70 Å²	70	165.2 Å²	165.2	72%	0.722	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79.6	129.9	-177.6	0	0	0	0	0	111.1
304	S	21.6	Very low	26.6	Very low	110 Å²	110	157.9 Å²	157.9	77%	0.769	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.3	137.4	158.7	179.9	0	0	0	0	108.8
305	S	22.9	Very low	26.5	Very low	118 Å²	118	163.4 Å²	163.4	83%	0.825	82%	0.823	S	S	*	*			trans	-125.3	113.7	159.5	-166	0	0	0	0	107.5
306	Q	26.2	Very low	26.1	Very low	170 Å²	170	161 Å²	161	79%	0.794	81%	0.813	S	S	*	*			trans	-86.1	146.8	156.7	-61.4	174.8	-76.8	0	0	105
307	E	24.8	Very low	26	Very low	154 Å²	154	164.5 Å²	164.5	72%	0.72	81%	0.81	S	S	*	*			cis	-154.6	177.4	49.7	-60.5	174.9	101.2	0	0	109.2
308	K	24.7	Very low	25.9	Very low	172 Å²	172	160.8 Å²	160.8	75%	0.748	80%	0.799	S	S	*	*			cis	-142	177.5	15.4	-112.3	116.2	-177.3	162.1	0	110.6
309	R	23.2	Very low	25.9	Very low	233 Å²	233	158.4 Å²	158.4	88%	0.879	80%	0.795	S	S	*	*			trans	-80.8	142.3	175.6	-92.4	177.2	168.9	155.9	-6.4	111.6
310	S	23.2	Very low	25.7	Very low	95 Å²	95	157 Å²	157	66%	0.664	79%	0.785	S	S	*	*				66.7	153.4	69.8	91.3	0	0	0	0	114.6
311	P	40.9	Very low	25.8	Very low	121 Å²	121	152.3 Å²	152.3	79%	0.786	77%	0.768	S	S	*	*			cis	-101.6	-157	11.2	38.6	-26.3	0	0	0	112
312	T	22.4	Very low	26.2	Very low	130 Å²	130	146 Å²	146	80%	0.798	75%	0.752	S	S	*	*			cis	-117.9	177.7	-0	44.5	0	0	0	0	111
313	L	27.3	Very low	26.4	Very low	161 Å²	161	137.1 Å²	137.1	84%	0.843	73%	0.731	S	S	*	*			cis	108.3	80.7	7.1	-150.7	157.9	0	0	0	116.5
314	A	24.1	Very low	26.5	Very low	100 Å²	100	138 Å²	138	83%	0.826	73%	0.732	S	S	*	*			trans	-146.8	101.3	160.4	0	0	0	0	0	112.1
315	H	25.2	Very low	27.2	Very low	190 Å²	190	135.4 Å²	135.4	88%	0.88	72%	0.717	S	S	*	*			trans	17.8	112.1	152.5	-132.7	46.8	0	0	0	120.9	Q317	H315-Q317 PolarHBondContact NE2-NE2 3.38Å
316	R	22.9	Very low	27.6	Very low	209 Å²	209	132.6 Å²	132.6	79%	0.789	71%	0.707	S	S	*	*			trans	-121.8	131.7	155.4	-110.3	-174.3	62.3	155.4	-0.8	109.8	D318	R316-D318 IonicContact CZ-OD1 2.79Å; R316-D318 IonicContact NE-OD1 2.8Å; R316-D318 IonicContact NH2-OD1 3.35Å; R316-D318 PolarHBondContact NH2-OD1 3.04Å
317	Q	26.1	Very low	28.3	Very low	148 Å²	148	131.5 Å²	131.5	69%	0.692	71%	0.706	S	S	*	*			trans	-101.1	108.8	176	-64.7	-179.4	9.8	0	0	109.6	H315	H315-Q317 PolarHBondContact NE2-NE2 3.38Å
318	D	29.1	Very low	28.4	Very low	114 Å²	114	128 Å²	128	61%	0.61	71%	0.711	S	S	*	*			trans	-92.4	116.5	174.9	-62.8	-48.9	0	0	0	110.4	R316	R316-D318 IonicContact CZ-OD1 2.79Å; R316-D318 IonicContact NE-OD1 2.8Å; R316-D318 IonicContact NH2-OD1 3.35Å; R316-D318 PolarHBondContact NH2-OD1 3.04Å
319	L	29.7	Very low	28.6	Very low	159 Å²	159	123.9 Å²	123.9	83%	0.832	72%	0.717	S	S	*	*			trans	-120.6	116.1	166.9	-78	176.9	0	0	0	111
320	W	26.2	Very low	28.7	Very low	164 Å²	164	116 Å²	116	62%	0.621	71%	0.709	S	S	*	*			trans	-136.5	123.8	174.1	-94.2	91.9	0	0	0	109.1	R511	W320-R511 PolarHBondContact O-NH1 3.2Å; W320-R511 PolarHBondContact O-NH2 3.03Å
321	Y	28.4	Very low	28.7	Very low	139 Å²	139	122 Å²	122	55%	0.545	72%	0.723	S	S	.	*			trans	-153.2	144.8	142.4	-109.8	-69.1	0	0	0	110.5	P507 R511	Y321-P507 HydrophobicContact CE2-CB 4.13Å; Y321-P507 VanDerWaalsContact OH-C 3.31Å; Y321-P507 WeakPolarHBondContact OH-CB 3.05Å; Y321-P507 PolarHBondContact OH-O 3.3Å; Y321-R511 VanDerWaalsContact CE2-NH1 3.26Å
322	A	30.8	Very low	27.8	Very low	63 Å²	63	120.6 Å²	120.6	52%	0.521	72%	0.721	S	S	.	*			trans	-117.6	164.5	-169.2	0	0	0	0	0	113.3
323	A	30.4	Very low	28.3	Very low	59 Å²	59	122.6 Å²	122.6	49%	0.488	73%	0.726	S	S	.	*			trans	-19.2	159.8	173.8	0	0	0	0	0	123.2	D57 L61	D57-A323 HydrophobicContact CB-CB 4.47Å; L61-A323 HydrophobicContact CD1-CB 4.04Å; L61-A323 HydrophobicContact CD2-CB 4.09Å; L61-A323 HydrophobicContact CG-CB 4.2Å
324	A	27.3	Very low	28.2	Very low	90 Å²	90	122.2 Å²	122.2	74%	0.744	73%	0.725	S	S	*	*			trans	-144.1	147.9	148.6	0	0	0	0	0	110.7
325	A	35.7	Very low	28.2	Very low	54 Å²	54	127.6 Å²	127.6	45%	0.446	73%	0.73	S	S	.	*			trans	-67.4	171.5	-171.7	0	0	0	0	0	114.8	L61	L61-A325 HydrophobicContact CD2-CB 3.98Å
326	G	30.4	Very low	28.1	Very low	60 Å²	60	124.1 Å²	124.1	62%	0.619	73%	0.727	S	S	*	*			cis	91.5	146.3	39.4	0	0	0	0	0	110.1
327	L	40.6	Very low	28.2	Very low	147 Å²	147	123.5 Å²	123.5	77%	0.77	73%	0.734	S	S	*	*			cis	-147.6	173.6	4.4	-66.5	169.5	0	0	0	108	N62	N62-L327 WeakPolarHBondContact OD1-CD2 3.4Å
328	G	28.7	Very low	28.3	Very low	80 Å²	80	124.9 Å²	124.9	83%	0.825	74%	0.74	S	S	*	*			cis	150.6	99.7	-8.5	0	0	0	0	0	114
329	G	28.6	Very low	28.1	Very low	85 Å²	85	126.8 Å²	126.8	88%	0.876	75%	0.75	S	S	*	*			trans	112.5	155.2	174.9	0	0	0	0	0	115
330	G	24.7	Very low	28	Very low	69 Å²	69	127.5 Å²	127.5	71%	0.711	75%	0.754	S	S	*	*			cis	155.2	116.6	-10.5	0	0	0	0	0	114.1
331	F	23.3	Very low	28	Very low	221 Å²	221	128.9 Å²	128.9	97%	0.969	76%	0.764	S	S	*	*			trans	-147.7	155.4	165.6	-88.8	-72.5	0	0	0	109.9
332	A	22.5	Very low	27.8	Very low	90 Å²	90	129 Å²	129	74%	0.744	78%	0.78	S	S	*	*			trans	-125.8	147	179.5	0	0	0	0	0	111
333	L	31.3	Very low	27.6	Very low	173 Å²	173	130.7 Å²	130.7	91%	0.906	79%	0.794	S	S	*	*			trans	-142.4	138.6	157.5	-76	179.9	0	0	0	107.6
334	D	27.1	Very low	27.3	Very low	153 Å²	153	131.8 Å²	131.8	82%	0.818	80%	0.803	S	S	*	*			trans	-77	145.6	179.9	-51.1	-78.2	0	0	0	111.7
335	F	22.4	Very low	27.5	Very low	213 Å²	213	135.3 Å²	135.3	93%	0.934	81%	0.809	S	S	*	*			trans	-157.7	121.3	147.7	-111.7	-73	0	0	0	110.1
336	S	24.1	Very low	26.9	Very low	117 Å²	117	143 Å²	143	82%	0.818	83%	0.828	S	S	*	*			trans	-106.9	128.8	164.5	-64.7	0	0	0	0	109.1
337	Q	24.7	Very low	26.7	Very low	196 Å²	196	149.2 Å²	149.2	92%	0.916	84%	0.838	S	S	*	*			trans	-151.7	150.9	143.2	-161.1	155.7	13.2	0	0	109.6
338	E	27.9	Very low	26	Very low	176 Å²	176	148.4 Å²	148.4	82%	0.822	84%	0.839	S	S	*	*			trans	-95.9	163.5	-167.7	-61	173.1	128.2	0	0	112.9
339	D	26.1	Very low	25.7	Very low	154 Å²	154	150.8 Å²	150.8	82%	0.824	83%	0.833	S	S	*	*			trans	41.5	116.8	155.8	-73.6	0.2	0	0	0	121.1
340	L	27.4	Very low	25.5	Very low	174 Å²	174	156.2 Å²	156.2	91%	0.911	83%	0.833	S	S	*	*				-155.4	147.5	111	-135.6	69.2	0	0	0	113.6
341	K	25.9	Very low	25.6	Very low	194 Å²	194	158.7 Å²	158.7	84%	0.843	84%	0.836	S	S	*	*			trans	-80.1	144.4	167.9	-65.8	167.1	179.7	165.5	0	110.4
342	T	24.5	Very low	25.7	Very low	142 Å²	142	157.6 Å²	157.6	87%	0.871	83%	0.826	S	S	*	*				177	148.3	123.8	-74.9	0	0	0	0	109.6
343	A	26	Very low	25.9	Very low	98 Å²	98	160.3 Å²	160.3	81%	0.81	83%	0.827	S	S	*	*			trans	-86.3	138.5	-178.7	0	0	0	0	0	112.7
344	A	24.5	Very low	25.6	Very low	82 Å²	82	157.1 Å²	157.1	68%	0.678	81%	0.811	S	S	*	*			trans	-151.5	135.9	159.9	0	0	0	0	0	109.6	Y346	A344-Y346 HydrophobicContact CB-CD2 4.44Å; A344-Y346 HydrophobicContact CB-CE2 4.31Å
345	N	30.2	Very low	25.5	Very low	164 Å²	164	159.6 Å²	159.6	88%	0.877	82%	0.815	S	S	*	*			trans	-80	125.2	173.8	-68.6	-38.8	0	0	0	109.8
346	Y	24.4	Very low	25.7	Very low	215 Å²	215	154.2 Å²	154.2	84%	0.843	81%	0.809	S	S	*	*			trans	-133.2	121.4	161.2	-82.5	-75.2	0	0	0	112	A344	A344-Y346 HydrophobicContact CB-CD2 4.44Å; A344-Y346 HydrophobicContact CB-CE2 4.31Å
347	F	25.4	Very low	26	Very low	190 Å²	190	157.5 Å²	157.5	83%	0.833	82%	0.817	S	S	*	*			trans	-79.3	138.3	169.5	-138.9	-102.2	0	0	0	108.1
348	V	25.5	Very low	26	Very low	130 Å²	130	151.7 Å²	151.7	79%	0.788	81%	0.81	S	S	*	*			trans	-140.2	129.4	169.2	-176.1	0	0	0	0	108.4
349	D	23	Very low	25.9	Very low	131 Å²	131	149 Å²	149	70%	0.701	81%	0.81	S	S	*	*			trans	-79.8	153.4	-164.7	-62.8	-76.9	0	0	0	115.5
350	F	24.2	Very low	26.1	Very low	199 Å²	199	146.8 Å²	146.8	87%	0.873	80%	0.802	S	S	*	*			trans	-85.5	133.2	165.4	-79.5	-90.7	0	0	0	110.6	R352	F350-R352 PolarHBondContact O-N 2.81Å
351	P	27.6	Very low	26	Very low	120 Å²	120	147.6 Å²	147.6	78%	0.779	80%	0.801	S	S	*	*			trans	-64	108.3	172.2	-22	33.6	0	0	0	111.7
352	R	26	Very low	26	Very low	199 Å²	199	141.8 Å²	141.8	75%	0.751	80%	0.795	S	S	*	*			trans	-82.3	117.8	168.9	179.7	-179.7	170.7	179.7	-4.4	108.9	F350 D354	F350-R352 PolarHBondContact O-N 2.81Å; R352-D354 IonicContact CZ-OD1 3.38Å; R352-D354 IonicContact CZ-OD2 3Å; R352-D354 VanDerWaalsContact NE-CG 3.29Å; R352-D354 IonicContact NE-OD1 2.81Å; R352-D354 PolarHBondContact NE-OD1 3.24Å; R352-D354 IonicContact NE-OD2 2.71Å; R352-D354 PolarHBondContact NE-OD2 3.46Å; R352-D354 IonicContact NH2-OD1 3.72Å; R352-D354 PolarHBondContact NH2-OD1 2.79Å; R352-D354 IonicContact NH2-OD2 3.47Å; R352-D354 PolarHBondContact NH2-OD2 3.36Å
353	L	26.1	Very low	26	Very low	146 Å²	146	142.1 Å²	142.1	76%	0.764	79%	0.787	S	S	*	*			trans	-110.6	93.4	173.5	-71	174.4	0	0	0	109.6
354	D	24.1	Very low	26	Very low	107 Å²	107	145.1 Å²	145.1	57%	0.572	78%	0.782	S	S	*	*			trans	-76.8	134.6	165.1	-57.4	-73.6	0	0	0	109.2	R352	R352-D354 IonicContact CZ-OD1 3.38Å; R352-D354 IonicContact CZ-OD2 3Å; R352-D354 VanDerWaalsContact NE-CG 3.29Å; R352-D354 IonicContact NE-OD1 2.81Å; R352-D354 PolarHBondContact NE-OD1 3.24Å; R352-D354 IonicContact NE-OD2 2.71Å; R352-D354 PolarHBondContact NE-OD2 3.46Å; R352-D354 IonicContact NH2-OD1 3.72Å; R352-D354 PolarHBondContact NH2-OD1 2.79Å; R352-D354 IonicContact NH2-OD2 3.47Å; R352-D354 PolarHBondContact NH2-OD2 3.36Å
355	F	25.8	Very low	26.1	Very low	205 Å²	205	148.1 Å²	148.1	90%	0.899	79%	0.791	S	S	*	*			trans	-99.1	113.2	171.2	-86.8	-88.8	0	0	0	109.9
356	A	25.7	Very low	25.8	Very low	99 Å²	99	144.7 Å²	144.7	82%	0.818	78%	0.781	S	S	*	*			trans	-127.4	153.2	172.1	0	0	0	0	0	110.4
357	L	30.4	Very low	26	Very low	187 Å²	187	140.4 Å²	140.4	98%	0.979	78%	0.779	S	S	*	*			trans	-86.4	130.7	-169.2	-163.9	73.3	0	0	0	111.9
358	G	24.4	Very low	25.9	Very low	74 Å²	74	138.8 Å²	138.8	76%	0.763	78%	0.776	S	S	*	*			trans	-169.7	155.5	176.9	0	0	0	0	0	110.9
359	S	26.2	Very low	26	Very low	119 Å²	119	138.5 Å²	138.5	83%	0.832	77%	0.77	S	S	*	*			trans	-146.9	172.3	-165.4	-168.4	0	0	0	0	114.1
360	V	29.7	Very low	26.3	Very low	107 Å²	107	139.5 Å²	139.5	65%	0.648	77%	0.77	S	S	*	*			trans	92.5	110.2	164.1	-170.5	0	0	0	0	118.4
361	H	26.5	Very low	26.3	Very low	192 Å²	192	140 Å²	140	89%	0.889	77%	0.773	S	S	*	*			trans	62.3	148.9	164.2	-55.1	-16.3	0	0	0	116.9
362	G	25.7	Very low	26.2	Very low	71 Å²	71	138 Å²	138	73%	0.732	76%	0.761	S	S	*	*			cis	154.2	143.8	-1.5	0	0	0	0	0	108.5
363	E	25.6	Very low	26.3	Very low	149 Å²	149	136.7 Å²	136.7	70%	0.696	77%	0.768	S	S	*	*			cis	-154.9	171.4	4	-92.7	-136.9	88.4	0	0	110.6
364	K	25.7	Very low	26.4	Very low	161 Å²	161	136.4 Å²	136.4	70%	0.7	76%	0.763	S	S	*	*			trans	37.3	130.9	151.8	-66.4	158.5	-177.6	141.8	0	119.3
365	V	25.7	Very low	26.7	Very low	145 Å²	145	139.3 Å²	139.3	88%	0.879	77%	0.773	S	S	*	*				-138.5	154.9	56.6	175	0	0	0	0	113.2
366	S	24.3	Very low	27	Very low	93 Å²	93	134.5 Å²	134.5	65%	0.65	77%	0.765	S	S	*	*			trans	-79.5	172.6	-171.5	-37.5	0	0	0	0	115.5
367	P	28.6	Very low	27	Very low	125 Å²	125	133.3 Å²	133.3	81%	0.812	76%	0.763	S	S	*	*				-120	143.5	71	33.4	-23.5	0	0	0	113.5
368	M	23.2	Very low	26.9	Very low	156 Å²	156	129.8 Å²	129.8	77%	0.768	76%	0.76	S	S	*	*				72.6	109	52.2	-162.7	-172	-166.8	0	0	111.6
369	N	28.3	Very low	27	Very low	124 Å²	124	129.5 Å²	129.5	66%	0.663	76%	0.757	S	S	*	*			cis	-143.5	157.2	1.2	-94	-8.9	0	0	0	108.3
370	Q	27.8	Very low	27.3	Very low	151 Å²	151	133.6 Å²	133.6	71%	0.706	76%	0.763	S	S	*	*			cis	82.7	118.4	17.7	-164.8	175.3	-1.7	0	0	117.7
371	F	25.6	Very low	27.1	Very low	211 Å²	211	131.7 Å²	131.7	93%	0.925	77%	0.765	S	S	*	*			trans	-147.9	126.2	152.5	-122.9	-81.3	0	0	0	108.4
372	S	24.4	Very low	27.3	Very low	77 Å²	77	128.4 Å²	128.4	54%	0.538	76%	0.764	S	S	.	*			trans	-110	163	176.6	-66.4	0	0	0	0	110.9
373	L	27.6	Very low	27.6	Very low	172 Å²	172	131.1 Å²	131.1	90%	0.901	77%	0.772	S	S	*	*			trans	-117.1	128.9	166.5	-178.1	76.5	0	0	0	107.2
374	E	28.8	Very low	27.7	Very low	140 Å²	140	127.9 Å²	127.9	65%	0.654	78%	0.778	S	S	*	*			trans	-125.2	139.6	-177.7	-63	-63.7	156.6	0	0	110.4
375	E	30.8	Very low	28.1	Very low	167 Å²	167	128 Å²	128	78%	0.78	79%	0.785	S	S	*	*			trans	52.7	148.8	139.6	-70.8	-134.5	87.8	0	0	122.2
376	S	31.5	Very low	28.2	Very low	105 Å²	105	128.4 Å²	128.4	73%	0.734	78%	0.782	S	S	*	*			cis	-159.4	170.8	-11.5	-136.5	0	0	0	0	110.3
377	G	25.1	Very low	28.4	Very low	74 Å²	74	128 Å²	128	76%	0.763	78%	0.784	S	S	*	*			trans	172.5	125.9	170.6	0	0	0	0	0	115.9
378	A	28.5	Very low	28.4	Very low	112 Å²	112	129.3 Å²	129.3	93%	0.926	79%	0.79	S	S	*	*			trans	-73.3	167.1	173	0	0	0	0	0	112.3
379	G	27.7	Very low	28.8	Very low	68 Å²	68	124.9 Å²	124.9	70%	0.701	79%	0.785	S	S	*	*			cis	174	-173.9	0.8	0	0	0	0	0	111.9
380	E	31.1	Very low	29	Very low	206 Å²	206	125.4 Å²	125.4	96%	0.963	79%	0.793	S	S	*	*			trans	21.7	140.5	160	-56.1	-175.8	122.2	0	0	122.5
381	G	27.2	Very low	29.2	Very low	66 Å²	66	124 Å²	124	68%	0.68	79%	0.79	S	S	*	*			trans	125.9	96	132.2	0	0	0	0	0	120.2
382	S	29.8	Very low	29.8	Very low	124 Å²	124	122.3 Å²	122.3	87%	0.867	79%	0.785	S	S	*	*			trans	53.3	137.6	135.8	57.6	0	0	0	0	123.7
383	S	32	Very low	30.2	Very low	128 Å²	128	122.4 Å²	122.4	90%	0.895	80%	0.798	S	S	*	*			trans	-64.6	156.8	167.2	-36.4	0	0	0	0	114.7
384	G	28.6	Very low	30.5	Very low	80 Å²	80	117.3 Å²	117.3	83%	0.825	79%	0.787	S	S	*	*			trans	-168.1	129.4	165.7	0	0	0	0	0	113.7
385	L	33.8	Very low	30.5	Very low	163 Å²	163	118 Å²	118	85%	0.853	80%	0.795	S	S	*	*			trans	-102.5	141.8	171.3	-65.2	168.5	0	0	0	109.5
386	N	28.1	Very low	30.7	Very low	154 Å²	154	118.2 Å²	118.2	82%	0.824	80%	0.796	S	S	*	*				166.8	126.6	120.9	-85.9	-23.5	0	0	0	115.9
387	A	27.4	Very low	31	Very low	84 Å²	84	118.4 Å²	118.4	69%	0.694	80%	0.797	S	S	*	*				56.2	119	124.1	0	0	0	0	0	123.8
388	V	29.7	Very low	31.7	Very low	153 Å²	153	120.8 Å²	120.8	93%	0.927	80%	0.797	S	S	*	*				86.9	128.1	126.3	171.6	0	0	0	0	121
389	G	30.8	Very low	31.8	Very low	64 Å²	64	120.2 Å²	120.2	66%	0.66	79%	0.792	S	S	*	*			trans	114.6	130.2	160.4	0	0	0	0	0	114.1
390	T	33.3	Very low	32.4	Very low	135 Å²	135	122.8 Å²	122.8	83%	0.828	79%	0.794	S	S	*	*			cis	-149.6	157.6	-10.4	35.6	0	0	0	0	110.4
391	N	32	Very low	32.7	Very low	120 Å²	120	118.7 Å²	118.7	64%	0.642	78%	0.783	S	S	*	*			trans	-47.4	137.7	171.5	43.9	-77.9	0	0	0	116.6
392	E	37	Very low	33	Very low	177 Å²	177	118.9 Å²	118.9	83%	0.827	79%	0.785	S	S	*	*				171.5	139.3	110.6	-97.1	158.1	-133	0	0	115.9
393	G	33.1	Very low	33.7	Very low	78 Å²	78	117.1 Å²	117.1	80%	0.804	77%	0.772	S	S	*	*			trans	72.4	120.1	138.1	0	0	0	0	0	122.5
394	G	33.8	Very low	34.5	Very low	65 Å²	65	117.7 Å²	117.7	67%	0.67	77%	0.77	S	S	*	*			trans	81.5	122.7	160.2	0	0	0	0	0	115.2
395	D	29	Very low	35.3	Very low	156 Å²	156	118.3 Å²	118.3	83%	0.834	76%	0.762	S	S	*	*			cis	102.3	140.5	33.9	92.1	-39.4	0	0	0	115.4
396	E	36.3	Very low	36.1	Very low	171 Å²	171	115.3 Å²	115.3	80%	0.799	76%	0.755	S	S	*	*			trans	47.9	104.4	174.6	-55.7	-150.3	141	0	0	121.9
397	S	36.9	Very low	37.4	Very low	109 Å²	109	115 Å²	115	76%	0.762	76%	0.758	S	S	*	*				106	141.1	126.7	-60.5	0	0	0	0	122.2
398	V	39.7	Very low	38.9	Very low	123 Å²	123	115.3 Å²	115.3	75%	0.745	75%	0.751	S	S	*	*			trans	56.3	79.1	166.8	-155.2	0	0	0	0	118.1	V400	V398-V400 HydrophobicContact CG1-CG2 3.85Å; V398-V400 PolarHBondContact O-N 3.03Å
399	A	30.6	Very low	40.7	Very low	100 Å²	100	110.2 Å²	110.2	83%	0.826	73%	0.73	S	S	*	*			trans	-69.5	92.5	154.1	0	0	0	0	0	110.5	V401	A399-V401 PolarHBondContact O-N 3.43Å
400	V	39.7	Very low	42.8	Very low	123 Å²	123	111.5 Å²	111.5	75%	0.745	73%	0.727	S	S	*	*			trans	-64.9	116.5	164.7	176.1	0	0	0	0	107.7	V398 G402	V398-V400 HydrophobicContact CG1-CG2 3.85Å; V398-V400 PolarHBondContact O-N 3.03Å; V400-G402 PolarHBondContact O-N 2.91Å
401	V	37.7	Very low	45.2	Very low	120 Å²	120	107.4 Å²	107.4	73%	0.727	70%	0.701	S	S	*	*			trans	-68.4	99.1	-179.8	-177	0	0	0	0	109.2	A399 S403	A399-V401 PolarHBondContact O-N 3.43Å; V401-S403 PolarHBondContact O-N 2.75Å
402	G	34.3	Very low	47.5	Very low	70 Å²	70	106.5 Å²	106.5	72%	0.722	70%	0.695	S	S	*	*			trans	-70.3	67	172.4	0	0	0	0	0	111.7	V400 T404	V400-G402 PolarHBondContact O-N 2.91Å; G402-T404 PolarHBondContact O-N 2.3Å
403	S	44.6	Very low	49.8	Very low	86 Å²	86	98.2 Å²	98.2	60%	0.601	66%	0.657	S	S	*	*			trans	-59.2	107	176.8	-68.5	0	0	0	0	110.6	V401 S405	V401-S403 PolarHBondContact O-N 2.75Å; S403-S405 PolarHBondContact O-N 3.43Å
404	T	47.2	Very low	52.1	Low	140 Å²	140	103.3 Å²	103.3	86%	0.859	66%	0.66	S	S	*	*			trans	-74.9	46.3	170.4	45.8	0	0	0	0	111.6	G402 S406	G402-T404 PolarHBondContact O-N 2.3Å; T404-S406 VanDerWaalsContact C-N 3.35Å; T404-S406 PolarHBondContact O-N 2.96Å
405	S	45.5	Very low	54.2	Low	93 Å²	93	105.8 Å²	105.8	65%	0.65	65%	0.654	S	S	*	*			trans	-70.7	93	169.5	55.3	0	0	0	0	108.8	S403 V407	S403-S405 PolarHBondContact O-N 3.43Å; S405-V407 PolarHBondContact O-N 3.22Å
406	S	52	Low	56.7	Low	101 Å²	101	101.1 Å²	101.1	71%	0.706	63%	0.633	S	S	*	*			trans	-52.8	131.8	173.2	42	0	0	0	0	110.3	T404 T408	T404-S406 VanDerWaalsContact C-N 3.35Å; T404-S406 PolarHBondContact O-N 2.96Å; S406-T408 PolarHBondContact O-N 2.55Å
407	V	54.7	Low	58.8	Low	148 Å²	148	95.5 Å²	95.5	90%	0.897	62%	0.621	S	S	*	*			trans	-76.7	74.2	-170.4	-172.3	0	0	0	0	110.6	S405	S405-V407 PolarHBondContact O-N 3.22Å
408	T	59.9	Low	61.1	Low	89 Å²	89	94.7 Å²	94.7	55%	0.546	61%	0.607	S	S	.	*			trans	-74.9	118.8	156.8	54.8	0	0	0	0	107.8	S406	S406-T408 PolarHBondContact O-N 2.55Å
409	G	66.3	Low	63.3	Low	46 Å²	46	93 Å²	93	47%	0.474	60%	0.598	S	S	.	*			trans	-61.6	154.3	178.8	0	0	0	0	0	111.7	V411	G409-V411 WeakPolarHBondContact O-CG2 3.42Å; G409-V411 PolarHBondContact O-N 3.27Å; G409-V411 VanDerWaalsContact O-N 3.07Å
410	P	75.3	Confident	65.8	Low	92 Å²	92	90 Å²	90	60%	0.597	57%	0.566	S	S	*	*			trans	-61.1	114.6	-176.1	24.6	-33.9	0	0	0	111	I412 T419 F420	P410-I412 PolarHBondContact O-N 3.08Å; P410-T419 HydrophobicContact CB-CG2 4.21Å; P410-F420 CarbonylContact C-O 3.52Å; P410-F420 WeakPolarHBondContact CA-O 3.44Å
411	V	83.3	Confident	67.9	Low	48 Å²	48	89 Å²	89	29%	0.291	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	119.8	-174.5	-158.4	0	0	0	0	109.1	G409 F420 A423 L426	G409-V411 WeakPolarHBondContact O-CG2 3.42Å; G409-V411 PolarHBondContact O-N 3.27Å; G409-V411 VanDerWaalsContact O-N 3.07Å; V411-F420 PolarHBondContact N-O 2.99Å; V411-F420 PolarHBondContact O-N 2.79Å; V411-A423 HydrophobicContact CG2-CB 4.42Å; V411-L426 HydrophobicContact CB-CD2 4.04Å; V411-L426 HydrophobicContact CG1-CD2 3.46Å; V411-L426 VanDerWaalsContact CG1-CD2 3.46Å
412	I	81.4	Confident	70.3	Confident	101 Å²	101	84.8 Å²	84.8	52%	0.518	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.2	-175.9	-58.7	169.3	0	0	0	109.9	P410 E414 L418 T419	P410-I412 PolarHBondContact O-N 3.08Å; I412-E414 PolarHBondContact O-N 2.81Å; I412-L418 WeakPolarHBondContact CA-O 3.25Å; I412-T419 HydrophobicContact CG1-CG2 3.83Å
413	C	84.3	Confident	72.6	Confident	3 Å²	3	84.6 Å²	84.6	2%	0.02	53%	0.529	C	S	.	.			trans	-78.7	113.1	168.9	-171.3	0	0	0	0	111	H415 C416 G417 L418 F420 L426 H429	C413-H415 PolarHBondContact O-N 2.8Å; C413-C416 PolarHBondContact O-N 3.23Å; C413-C416 VanDerWaalsContact O-N 3.14Å; C413-G417 WeakPolarHBondContact O-CA 3.4Å; C413-G417 PolarHBondContact O-N 3.21Å; C413-L418 PolarHBondContact N-O 3.37Å; C413-F420 HydrophobicContact CB-CE2 4.02Å; C413-L426 HydrophobicContact CB-CD1 3.38Å; C413-H429 PolarHBondContact SG-NE2 3.38Å
414	E	82.6	Confident	74.5	Confident	186 Å²	186	87 Å²	87	87%	0.869	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	179.4	-58.8	-177.9	153.3	0	0	113.9	I412	I412-E414 PolarHBondContact O-N 2.81Å
415	H	77	Confident	76.4	Confident	116 Å²	116	82.2 Å²	82.2	54%	0.537	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-9.1	-178.9	-56.7	-51.2	0	0	0	115.2	C413 H434 L436	C413-H415 PolarHBondContact O-N 2.8Å; H415-H434 WeakPolarHBondContact CB-CE1 3.42Å; H415-H434 WeakPolarHBondContact CB-ND1 3.38Å; H415-H434 PolarHBondContact O-CE1 2.94Å; H415-L436 VanDerWaalsContact CD2-CD2 3.49Å; H415-L436 WeakPolarHBondContact CD2-CD2 3.27Å; H415-L436 VanDerWaalsContact NE2-CD2 3.34Å; H415-L436 WeakPolarHBondContact NE2-CD2 3.38Å
416	C	82.4	Confident	78.2	Confident	58 Å²	58	79.2 Å²	79.2	39%	0.392	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.6	-2.3	177.7	66	0	0	0	0	116.2	C413 L418 H429 H434	C413-C416 PolarHBondContact O-N 3.23Å; C413-C416 VanDerWaalsContact O-N 3.14Å; C416-L418 PolarHBondContact O-N 3.31Å; C416-H429 PolarHBondContact SG-NE2 2.79Å; C416-H434 PolarHBondContact SG-NE2 3.11Å
417	G	80.4	Confident	79.6	Confident	53 Å²	53	75.8 Å²	75.8	55%	0.546	46%	0.457	S	S	.	.			trans	73.2	1.3	-179.1	0	0	0	0	0	115.6	C413	C413-G417 WeakPolarHBondContact O-CA 3.4Å; C413-G417 PolarHBondContact O-N 3.21Å
418	L	84.6	Confident	80.9	Confident	92 Å²	92	73.2 Å²	73.2	48%	0.482	44%	0.438	S	S	.	.			trans	-72.8	130.8	179.4	-65.6	177.9	0	0	0	111.6	I412 C413 C416 F420	I412-L418 WeakPolarHBondContact CA-O 3.25Å; C413-L418 PolarHBondContact N-O 3.37Å; C416-L418 PolarHBondContact O-N 3.31Å; L418-F420 HydrophobicContact CB-CE2 3.6Å; L418-F420 HydrophobicContact CB-CZ 3.8Å; L418-F420 HydrophobicContact CD1-CZ 4.28Å; L418-F420 VanDerWaalsContact O-CD2 3.31Å; L418-F420 WeakPolarHBondContact O-CD2 3.41Å; L418-F420 VanDerWaalsContact O-CE2 3.28Å; L418-F420 WeakPolarHBondContact O-CE2 3.46Å
419	T	85.7	Confident	82	Confident	89 Å²	89	70.3 Å²	70.3	55%	0.546	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.1	173.6	44.9	0	0	0	0	111.9	P410 I412	P410-T419 HydrophobicContact CB-CG2 4.21Å; I412-T419 HydrophobicContact CG1-CG2 3.83Å
420	F	83.4	Confident	82.7	Confident	36 Å²	36	69.2 Å²	69.2	16%	0.158	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145	176.7	-66.7	-82.5	0	0	0	112	P410 V411 C413 L418 S422 L426 H429	P410-F420 CarbonylContact C-O 3.52Å; P410-F420 WeakPolarHBondContact CA-O 3.44Å; V411-F420 PolarHBondContact N-O 2.99Å; V411-F420 PolarHBondContact O-N 2.79Å; C413-F420 HydrophobicContact CB-CE2 4.02Å; L418-F420 HydrophobicContact CB-CE2 3.6Å; L418-F420 HydrophobicContact CB-CZ 3.8Å; L418-F420 HydrophobicContact CD1-CZ 4.28Å; L418-F420 VanDerWaalsContact O-CD2 3.31Å; L418-F420 WeakPolarHBondContact O-CD2 3.41Å; L418-F420 VanDerWaalsContact O-CE2 3.28Å; L418-F420 WeakPolarHBondContact O-CE2 3.46Å; F420-S422 PolarHBondContact O-N 3.26Å; F420-L426 HydrophobicContact CB-CB 4.16Å; F420-L426 HydrophobicContact CD2-CB 4.14Å; F420-L426 HydrophobicContact CD2-CD1 3.79Å; F420-L426 HydrophobicContact CE2-CD1 4.1Å; F420-L426 HydrophobicContact CG-CB 4.26Å; F420-H429 HydrophobicContact CD1-CB 4.36Å; F420-H429 HydrophobicContact CE1-CB 3.71Å; F420-H429 AromaticContact CE1-CG 3.83Å; F420-H429 HydrophobicContact CE2-CB 4.02Å; F420-H429 AromaticContact CE2-CD2 3.54Å; F420-H429 AromaticContact CE2-CG 3.59Å; F420-H429 HydrophobicContact CZ-CB 3.54Å; F420-H429 AromaticContact CZ-CD2 3.58Å; F420-H429 AromaticContact CZ-CG 3.15Å; F420-H429 AromaticContact CZ-ND1 3.36Å; F420-H429 WeakPolarHBondContact CZ-ND1 3.45Å
421	P	83.7	Confident	82.8	Confident	102 Å²	102	71.9 Å²	71.9	66%	0.662	40%	0.401	S	S	*	.	S	Bend	trans	-73.3	-4.6	-178	31.7	-37.3	0	0	0	113.9
422	S	87.6	Confident	82.5	Confident	32 Å²	32	73 Å²	73	22%	0.224	41%	0.411	C	S	.	.	S	Bend	trans	-157.5	157.9	173	75.6	0	0	0	0	111.7	F420 H424 S425 L426	F420-S422 PolarHBondContact O-N 3.26Å; S422-H424 PolarHBondContact O-N 3.2Å; S422-H424 PolarHBondContact OG-N 2.96Å; S422-S425 PolarHBondContact O-N 3.32Å; S422-S425 WeakPolarHBondContact OG-CB 3.37Å; S422-S425 PolarHBondContact OG-N 3.43Å; S422-S425 PolarHBondContact OG-OG 3.07Å; S422-L426 PolarHBondContact O-N 3.38Å
423	A	83.6	Confident	82.4	Confident	65 Å²	65	71.3 Å²	71.3	54%	0.537	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-28.4	171	0	0	0	0	0	112.5	V411 L426 A427	V411-A423 HydrophobicContact CG2-CB 4.42Å; A423-L426 PolarHBondContact O-N 3.35Å; A423-A427 WeakPolarHBondContact O-CB 3.5Å; A423-A427 PolarHBondContact O-N 2.84Å
424	H	84.7	Confident	82.2	Confident	136 Å²	136	72.8 Å²	72.8	63%	0.63	41%	0.412	S	S	*	.	H	α-helix	trans	-69.4	-43.6	175.3	-172.7	89.2	0	0	0	111.7	S422 L426 A427 I428	S422-H424 PolarHBondContact O-N 3.2Å; S422-H424 PolarHBondContact OG-N 2.96Å; H424-L426 VanDerWaalsContact C-N 3.32Å; H424-L426 PolarHBondContact O-N 3.01Å; H424-A427 PolarHBondContact O-N 2.89Å; H424-A427 VanDerWaalsContact O-N 3.16Å; H424-I428 PolarHBondContact O-N 2.86Å
425	S	85.1	Confident	82.1	Confident	41 Å²	41	67.9 Å²	67.9	29%	0.287	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-42.1	173.1	-54.5	0	0	0	0	111.3	S422 I428 H429	S422-S425 PolarHBondContact O-N 3.32Å; S422-S425 WeakPolarHBondContact OG-CB 3.37Å; S422-S425 PolarHBondContact OG-N 3.43Å; S422-S425 PolarHBondContact OG-OG 3.07Å; S425-I428 PolarHBondContact O-N 2.93Å; S425-H429 WeakPolarHBondContact O-CB 3.4Å; S425-H429 PolarHBondContact O-N 3.36Å
426	L	84.5	Confident	82.3	Confident	29 Å²	29	65.6 Å²	65.6	15%	0.152	38%	0.383	C	S	.	.	H	α-helix	trans	-62.9	-40	172.7	174.6	58.9	0	0	0	112.3	V411 C413 F420 S422 A423 H424 H429 S430	V411-L426 HydrophobicContact CB-CD2 4.04Å; V411-L426 HydrophobicContact CG1-CD2 3.46Å; V411-L426 VanDerWaalsContact CG1-CD2 3.46Å; C413-L426 HydrophobicContact CB-CD1 3.38Å; F420-L426 HydrophobicContact CB-CB 4.16Å; F420-L426 HydrophobicContact CD2-CB 4.14Å; F420-L426 HydrophobicContact CD2-CD1 3.79Å; F420-L426 HydrophobicContact CE2-CD1 4.1Å; F420-L426 HydrophobicContact CG-CB 4.26Å; S422-L426 PolarHBondContact O-N 3.38Å; A423-L426 PolarHBondContact O-N 3.35Å; H424-L426 VanDerWaalsContact C-N 3.32Å; H424-L426 PolarHBondContact O-N 3.01Å; L426-H429 PolarHBondContact O-N 3.07Å; L426-S430 WeakPolarHBondContact O-CB 3.45Å; L426-S430 PolarHBondContact O-N 2.78Å; L426-S430 PolarHBondContact O-OG 3.14Å
427	A	80.9	Confident	82.2	Confident	29 Å²	29	66.9 Å²	66.9	24%	0.24	38%	0.38	C	S	.	.	H	α-helix	trans	-67.4	-34	177.5	0	0	0	0	0	112.8	A423 H424 S430 R431	A423-A427 WeakPolarHBondContact O-CB 3.5Å; A423-A427 PolarHBondContact O-N 2.84Å; H424-A427 PolarHBondContact O-N 2.89Å; H424-A427 VanDerWaalsContact O-N 3.16Å; A427-S430 PolarHBondContact O-OG 3.04Å; A427-R431 WeakPolarHBondContact O-CB 3.39Å; A427-R431 WeakPolarHBondContact O-CD 3.2Å; A427-R431 WeakPolarHBondContact O-CG 3.15Å; A427-R431 PolarHBondContact O-N 3.08Å
428	I	82.4	Confident	82.4	Confident	95 Å²	95	67.7 Å²	67.7	49%	0.487	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-47.7	171.3	-68.6	171.4	0	0	0	110.2	H424 S425 S430 R431 S432	H424-I428 PolarHBondContact O-N 2.86Å; S425-I428 PolarHBondContact O-N 2.93Å; I428-S430 PolarHBondContact O-N 3.25Å; I428-R431 PolarHBondContact O-N 3.03Å; I428-S432 WeakPolarHBondContact O-CB 3.4Å; I428-S432 PolarHBondContact O-N 3.39Å; I428-S432 VanDerWaalsContact O-N 3.1Å; I428-S432 PolarHBondContact O-OG 2.78Å
429	H	83.4	Confident	82.4	Confident	28 Å²	28	63.3 Å²	63.3	13%	0.13	35%	0.352	C	S	.	.	H	α-helix	trans	-55.6	-51.9	176.7	168.1	74.7	0	0	0	111.7	C413 C416 F420 S425 L426 R431 S432 T433 H434	C413-H429 PolarHBondContact SG-NE2 3.38Å; C416-H429 PolarHBondContact SG-NE2 2.79Å; F420-H429 HydrophobicContact CD1-CB 4.36Å; F420-H429 HydrophobicContact CE1-CB 3.71Å; F420-H429 AromaticContact CE1-CG 3.83Å; F420-H429 HydrophobicContact CE2-CB 4.02Å; F420-H429 AromaticContact CE2-CD2 3.54Å; F420-H429 AromaticContact CE2-CG 3.59Å; F420-H429 HydrophobicContact CZ-CB 3.54Å; F420-H429 AromaticContact CZ-CD2 3.58Å; F420-H429 AromaticContact CZ-CG 3.15Å; F420-H429 AromaticContact CZ-ND1 3.36Å; F420-H429 WeakPolarHBondContact CZ-ND1 3.45Å; S425-H429 WeakPolarHBondContact O-CB 3.4Å; S425-H429 PolarHBondContact O-N 3.36Å; L426-H429 PolarHBondContact O-N 3.07Å; H429-R431 VanDerWaalsContact C-N 3.32Å; H429-R431 PolarHBondContact O-N 2.96Å; H429-S432 PolarHBondContact O-N 3.26Å; H429-S432 PolarHBondContact O-OG 3.46Å; H429-S432 VanDerWaalsContact O-OG 3.12Å; H429-T433 VanDerWaalsContact CE1-CB 3.47Å; H429-T433 WeakPolarHBondContact CE1-CB 3.48Å; H429-T433 WeakPolarHBondContact CE1-CG2 3.44Å; H429-T433 PolarHBondContact CE1-OG1 3.32Å; H429-T433 WeakPolarHBondContact ND1-CG2 3.42Å; H429-T433 PolarHBondContact ND1-OG1 3.11Å; H429-T433 PolarHBondContact NE2-OG1 2.8Å; H429-T433 PolarHBondContact O-N 3Å; H429-T433 PolarHBondContact O-OG1 2.81Å; H429-H434 AromaticContact CE1-NE2 3.99Å; H429-H434 AromaticContact NE2-CD2 2.87Å; H429-H434 PolarHBondContact NE2-CD2 3Å; H429-H434 AromaticContact NE2-CE1 3.61Å; H429-H434 AromaticContact NE2-NE2 2.35Å; H429-H434 PolarHBondContact NE2-NE2 2.35Å
430	S	80	Confident	82.2	Confident	23 Å²	23	64.4 Å²	64.4	16%	0.161	36%	0.36	C	S	.	.	H	α-helix	trans	-64.9	-36.2	-176.2	67.5	0	0	0	0	112.6	L426 A427 I428 S432 H434	L426-S430 WeakPolarHBondContact O-CB 3.45Å; L426-S430 PolarHBondContact O-N 2.78Å; L426-S430 PolarHBondContact O-OG 3.14Å; A427-S430 PolarHBondContact O-OG 3.04Å; I428-S430 PolarHBondContact O-N 3.25Å; S430-S432 VanDerWaalsContact C-N 3.31Å; S430-S432 PolarHBondContact O-N 2.78Å; S430-H434 WeakPolarHBondContact O-CB 3.47Å; S430-H434 PolarHBondContact O-N 3.35Å
431	R	78.7	Confident	82.1	Confident	147 Å²	147	66.2 Å²	66.2	56%	0.555	38%	0.376	S	S	*	.	H	α-helix	trans	-72.5	-16.4	173.7	-68.8	170.3	-171.3	176.5	2.4	114.4	A427 I428 H429 H448	A427-R431 WeakPolarHBondContact O-CB 3.39Å; A427-R431 WeakPolarHBondContact O-CD 3.2Å; A427-R431 WeakPolarHBondContact O-CG 3.15Å; A427-R431 PolarHBondContact O-N 3.08Å; I428-R431 PolarHBondContact O-N 3.03Å; H429-R431 VanDerWaalsContact C-N 3.32Å; H429-R431 PolarHBondContact O-N 2.96Å; R431-H448 PolarHBondContact O-CE1 3.2Å; R431-H448 PolarHBondContact O-ND1 3.24Å
432	S	76.8	Confident	82	Confident	71 Å²	71	63.9 Å²	63.9	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-111.6	-27	-175.2	53.5	0	0	0	0	114.3	I428 H429 S430 H447	I428-S432 WeakPolarHBondContact O-CB 3.4Å; I428-S432 PolarHBondContact O-N 3.39Å; I428-S432 VanDerWaalsContact O-N 3.1Å; I428-S432 PolarHBondContact O-OG 2.78Å; H429-S432 PolarHBondContact O-N 3.26Å; H429-S432 PolarHBondContact O-OG 3.46Å; H429-S432 VanDerWaalsContact O-OG 3.12Å; S430-S432 VanDerWaalsContact C-N 3.31Å; S430-S432 PolarHBondContact O-N 2.78Å; S432-H447 PolarHBondContact O-CE1 2.72Å
433	T	78.8	Confident	81.7	Confident	67 Å²	67	64.3 Å²	64.3	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-107.4	-32.6	-178.3	61.6	0	0	0	0	113.1	H429	H429-T433 VanDerWaalsContact CE1-CB 3.47Å; H429-T433 WeakPolarHBondContact CE1-CB 3.48Å; H429-T433 WeakPolarHBondContact CE1-CG2 3.44Å; H429-T433 PolarHBondContact CE1-OG1 3.32Å; H429-T433 WeakPolarHBondContact ND1-CG2 3.42Å; H429-T433 PolarHBondContact ND1-OG1 3.11Å; H429-T433 PolarHBondContact NE2-OG1 2.8Å; H429-T433 PolarHBondContact O-N 3Å; H429-T433 PolarHBondContact O-OG1 2.81Å
434	H	80.3	Confident	81.5	Confident	33 Å²	33	66 Å²	66	15%	0.153	37%	0.367	C	S	.	.			trans	-100.7	136.6	-176.4	-65.8	-72.2	0	0	0	111.8	H415 C416 H429 S430 L436 H447	H415-H434 WeakPolarHBondContact CB-CE1 3.42Å; H415-H434 WeakPolarHBondContact CB-ND1 3.38Å; H415-H434 PolarHBondContact O-CE1 2.94Å; C416-H434 PolarHBondContact SG-NE2 3.11Å; H429-H434 AromaticContact CE1-NE2 3.99Å; H429-H434 AromaticContact NE2-CD2 2.87Å; H429-H434 PolarHBondContact NE2-CD2 3Å; H429-H434 AromaticContact NE2-CE1 3.61Å; H429-H434 AromaticContact NE2-NE2 2.35Å; H429-H434 PolarHBondContact NE2-NE2 2.35Å; S430-H434 WeakPolarHBondContact O-CB 3.47Å; S430-H434 PolarHBondContact O-N 3.35Å; H434-L436 VanDerWaalsContact C-N 3.32Å; H434-L436 HydrophobicContact CB-CD2 3.62Å; H434-L436 HydrophobicContact CB-CG 3.97Å; H434-L436 PolarHBondContact O-N 3.49Å; H434-H447 PolarHBondContact O-ND1 3.32Å
435	L	81.2	Confident	81.5	Confident	84 Å²	84	64.7 Å²	64.7	44%	0.44	36%	0.361	S	S	.	.			trans	-92.8	63.2	-179.5	-67.5	164.5	0	0	0	110	Y437 H445 F446 H447	L435-Y437 VanDerWaalsContact C-N 3.29Å; L435-Y437 PolarHBondContact O-N 2.87Å; L435-H445 HydrophobicContact CB-CB 3.66Å; L435-H445 HydrophobicContact CD1-CB 4.4Å; L435-F446 CarbonylContact C-O 3.53Å; L435-H447 WeakPolarHBondContact CD2-NE2 3.33Å
436	L	79.3	Confident	81.4	Confident	68 Å²	68	64.8 Å²	64.8	36%	0.356	36%	0.356	S	S	.	.			trans	-65.6	-21.9	-166.2	-58.3	177.8	0	0	0	115.5	H415 H434 F446	H415-L436 VanDerWaalsContact CD2-CD2 3.49Å; H415-L436 WeakPolarHBondContact CD2-CD2 3.27Å; H415-L436 VanDerWaalsContact NE2-CD2 3.34Å; H415-L436 WeakPolarHBondContact NE2-CD2 3.38Å; H434-L436 VanDerWaalsContact C-N 3.32Å; H434-L436 HydrophobicContact CB-CD2 3.62Å; H434-L436 HydrophobicContact CB-CG 3.97Å; H434-L436 PolarHBondContact O-N 3.49Å; L436-F446 PolarHBondContact N-O 2.61Å
437	Y	80.6	Confident	81.3	Confident	85 Å²	85	66.5 Å²	66.5	33%	0.333	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	105.9	-169.9	-61.1	-85.3	0	0	0	111.1	L435 H445 F446 H448	L435-Y437 VanDerWaalsContact C-N 3.29Å; L435-Y437 PolarHBondContact O-N 2.87Å; Y437-H445 CarbonylContact O-C 3.59Å; Y437-H445 WeakPolarHBondContact O-CA 3.34Å; Y437-F446 WeakPolarHBondContact CB-O 2.99Å; Y437-F446 PolarHBondContact N-O 3.39Å; Y437-F446 PolarHBondContact O-N 3.03Å; Y437-H448 VanDerWaalsContact CD2-CA 3.48Å
438	V	84.8	Confident	81.3	Confident	69 Å²	69	69 Å²	69	42%	0.418	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	137.9	-177.3	-168.9	0	0	0	0	111.5	P440 L452	V438-P440 WeakPolarHBondContact O-CD 3.34Å; V438-L452 WeakPolarHBondContact O-CD2 3.4Å
439	C	85.8	Confident	81.2	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.007	37%	0.367	C	S	.	.			trans	-78.9	116.9	171.8	-180	0	0	0	0	111.3	C441 C442 G443 K444 F446 L452 M456 H459	C439-C441 PolarHBondContact O-N 2.87Å; C439-C442 PolarHBondContact O-N 3.45Å; C439-C442 VanDerWaalsContact SG-SG 3.67Å; C439-G443 WeakPolarHBondContact O-CA 3.33Å; C439-G443 PolarHBondContact O-N 3.2Å; C439-K444 HydrophobicContact CB-CB 4.42Å; C439-K444 WeakPolarHBondContact CB-O 3.45Å; C439-K444 PolarHBondContact N-O 3.29Å; C439-F446 HydrophobicContact CB-CE2 4.25Å; C439-L452 HydrophobicContact CB-CD1 3.72Å; C439-M456 PolarHBondContact SG-SD 2.77Å; C439-H459 VanDerWaalsContact SG-CD2 3.6Å; C439-H459 PolarHBondContact SG-NE2 3.31Å
440	P	81.2	Confident	81.2	Confident	112 Å²	112	69.5 Å²	69.5	73%	0.727	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.7	179.2	27	-35.2	0	0	0	113.1	V438 M456	V438-P440 WeakPolarHBondContact O-CD 3.34Å; P440-M456 HydrophobicContact CG-CE 4Å; P440-M456 HydrophobicContact CG-SD 4.32Å
441	C	79.9	Confident	81.3	Confident	74 Å²	74	70.6 Å²	70.6	50%	0.5	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-18	-178.3	-57.9	0	0	0	0	114.4	C439 H459	C439-C441 PolarHBondContact O-N 2.87Å; C441-H459 HydrophobicContact CB-CB 4.32Å
442	C	81.8	Confident	81.5	Confident	52 Å²	52	64.8 Å²	64.8	35%	0.351	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-156.4	13	-177.8	70.1	0	0	0	0	116.1	C439 K444 H455 H459	C439-C442 PolarHBondContact O-N 3.45Å; C439-C442 VanDerWaalsContact SG-SG 3.67Å; C442-K444 PolarHBondContact O-N 3.36Å; C442-H455 PolarHBondContact SG-NE2 3.28Å; C442-H459 WeakPolarHBondContact CB-CE1 3.49Å; C442-H459 PolarHBondContact SG-CE1 3.09Å; C442-H459 PolarHBondContact SG-NE2 3.4Å
443	G	81.6	Confident	81.7	Confident	42 Å²	42	66 Å²	66	43%	0.433	37%	0.374	S	S	.	.			trans	67.1	4.4	176.4	0	0	0	0	0	115.7	C439 H445	C439-G443 WeakPolarHBondContact O-CA 3.33Å; C439-G443 PolarHBondContact O-N 3.2Å; G443-H445 PolarHBondContact O-CE1 3.06Å; G443-H445 VanDerWaalsContact O-CE1 3.3Å; G443-H445 PolarHBondContact O-N 3.14Å; G443-H445 PolarHBondContact O-ND1 3.46Å
444	K	80.2	Confident	81.7	Confident	99 Å²	99	67.6 Å²	67.6	43%	0.43	37%	0.372	S	S	.	.			trans	-69.4	128.6	178.2	-70.9	-171.3	178.4	-163.5	0	110.9	C439 C442 F446	C439-K444 HydrophobicContact CB-CB 4.42Å; C439-K444 WeakPolarHBondContact CB-O 3.45Å; C439-K444 PolarHBondContact N-O 3.29Å; C442-K444 PolarHBondContact O-N 3.36Å; K444-F446 HydrophobicContact CB-CE2 3.82Å; K444-F446 HydrophobicContact CB-CZ 3.96Å; K444-F446 WeakPolarHBondContact O-CD2 3.43Å; K444-F446 VanDerWaalsContact O-CE2 3.27Å; K444-F446 WeakPolarHBondContact O-CE2 3.49Å
445	H	84.1	Confident	81.7	Confident	110 Å²	110	67.7 Å²	67.7	51%	0.509	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	147.4	-177.8	-61.1	50.8	0	0	0	111.3	L435 Y437 G443	L435-H445 HydrophobicContact CB-CB 3.66Å; L435-H445 HydrophobicContact CD1-CB 4.4Å; Y437-H445 CarbonylContact O-C 3.59Å; Y437-H445 WeakPolarHBondContact O-CA 3.34Å; G443-H445 PolarHBondContact O-CE1 3.06Å; G443-H445 VanDerWaalsContact O-CE1 3.3Å; G443-H445 PolarHBondContact O-N 3.14Å; G443-H445 PolarHBondContact O-ND1 3.46Å
446	F	84.2	Confident	81.6	Confident	43 Å²	43	65.2 Å²	65.2	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.3	-176.1	-60.5	-86.6	0	0	0	111.9	L435 L436 Y437 C439 K444 H448 N451 L452 H455	L435-F446 CarbonylContact C-O 3.53Å; L436-F446 PolarHBondContact N-O 2.61Å; Y437-F446 WeakPolarHBondContact CB-O 2.99Å; Y437-F446 PolarHBondContact N-O 3.39Å; Y437-F446 PolarHBondContact O-N 3.03Å; C439-F446 HydrophobicContact CB-CE2 4.25Å; K444-F446 HydrophobicContact CB-CE2 3.82Å; K444-F446 HydrophobicContact CB-CZ 3.96Å; K444-F446 WeakPolarHBondContact O-CD2 3.43Å; K444-F446 VanDerWaalsContact O-CE2 3.27Å; K444-F446 WeakPolarHBondContact O-CE2 3.49Å; F446-H448 VanDerWaalsContact C-N 3.33Å; F446-H448 PolarHBondContact O-N 3.48Å; F446-N451 HydrophobicContact CB-CB 4.2Å; F446-N451 HydrophobicContact CD1-CB 4.06Å; F446-N451 HydrophobicContact CG-CB 4.4Å; F446-L452 HydrophobicContact CB-CB 4.46Å; F446-L452 HydrophobicContact CD2-CB 4.04Å; F446-L452 HydrophobicContact CD2-CD1 4.02Å; F446-L452 HydrophobicContact CE2-CD1 4.14Å; F446-L452 HydrophobicContact CG-CB 4.41Å; F446-H455 HydrophobicContact CE1-CB 4.15Å; F446-H455 HydrophobicContact CE2-CB 4.04Å; F446-H455 AromaticContact CE2-CD2 3.4Å; F446-H455 VanDerWaalsContact CE2-CD2 3.4Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.27Å; F446-H455 AromaticContact CE2-CG 3.84Å; F446-H455 HydrophobicContact CZ-CB 3.61Å; F446-H455 AromaticContact CZ-CD2 3.38Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.45Å; F446-H455 AromaticContact CZ-CG 3.39Å
447	H	81.2	Confident	81.4	Confident	65 Å²	65	63.3 Å²	63.3	30%	0.301	35%	0.353	S	S	.	.	S	Bend	trans	-71.1	-22.1	177	-73.4	-61.2	0	0	0	114.6	S432 H434 L435	S432-H447 PolarHBondContact O-CE1 2.72Å; H434-H447 PolarHBondContact O-ND1 3.32Å; L435-H447 WeakPolarHBondContact CD2-NE2 3.33Å
448	H	81.9	Confident	81.1	Confident	80 Å²	80	63.6 Å²	63.6	37%	0.37	36%	0.363	S	S	.	.	S	Bend	trans	-139.3	145	-174.3	-52.4	-23.9	0	0	0	111.4	R431 Y437 F446 S450 N451 L452	R431-H448 PolarHBondContact O-CE1 3.2Å; R431-H448 PolarHBondContact O-ND1 3.24Å; Y437-H448 VanDerWaalsContact CD2-CA 3.48Å; F446-H448 VanDerWaalsContact C-N 3.33Å; F446-H448 PolarHBondContact O-N 3.48Å; H448-S450 VanDerWaalsContact C-N 3.31Å; H448-S450 PolarHBondContact O-N 3.21Å; H448-N451 HydrophobicContact CB-CB 4.46Å; H448-N451 WeakPolarHBondContact O-CB 3.5Å; H448-N451 PolarHBondContact O-N 3.42Å; H448-N451 VanDerWaalsContact O-N 3.14Å; H448-L452 PolarHBondContact O-N 2.76Å
449	S	80.4	Confident	80.6	Confident	62 Å²	62	64.7 Å²	64.7	43%	0.434	36%	0.364	S	S	.	.	H	α-helix	trans	-55.8	-42.2	173.7	52.1	0	0	0	0	112.6	N451 L452 T453	S449-N451 VanDerWaalsContact C-N 3.31Å; S449-N451 PolarHBondContact O-N 3.15Å; S449-L452 CarbonylContact O-C 3.52Å; S449-L452 WeakPolarHBondContact O-CA 3.37Å; S449-L452 WeakPolarHBondContact O-CB 3.47Å; S449-L452 PolarHBondContact O-N 3.34Å; S449-L452 VanDerWaalsContact O-N 3.11Å; S449-T453 PolarHBondContact O-N 3.46Å; S449-T453 PolarHBondContact O-OG1 3.18Å; S449-T453 VanDerWaalsContact O-OG1 3.11Å
450	S	81.8	Confident	79.7	Confident	73 Å²	73	74 Å²	74	51%	0.51	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-37	177.3	55.8	0	0	0	0	113.4	H448 R454	H448-S450 VanDerWaalsContact C-N 3.31Å; H448-S450 PolarHBondContact O-N 3.21Å; S450-R454 WeakPolarHBondContact O-CB 3.47Å; S450-R454 PolarHBondContact O-N 3.46Å
451	N	82.2	Confident	78.9	Confident	45 Å²	45	71.5 Å²	71.5	24%	0.241	39%	0.393	C	S	.	.	H	α-helix	trans	-67.9	-40.5	174.8	-72	-35.9	0	0	0	111.1	F446 H448 S449 R454 H455	F446-N451 HydrophobicContact CB-CB 4.2Å; F446-N451 HydrophobicContact CD1-CB 4.06Å; F446-N451 HydrophobicContact CG-CB 4.4Å; H448-N451 HydrophobicContact CB-CB 4.46Å; H448-N451 WeakPolarHBondContact O-CB 3.5Å; H448-N451 PolarHBondContact O-N 3.42Å; H448-N451 VanDerWaalsContact O-N 3.14Å; S449-N451 VanDerWaalsContact C-N 3.31Å; S449-N451 PolarHBondContact O-N 3.15Å; N451-R454 PolarHBondContact OD1-NH2 3.29Å; N451-H455 WeakPolarHBondContact O-CB 3.5Å; N451-H455 PolarHBondContact O-N 3.42Å
452	L	84.1	Confident	77.9	Confident	26 Å²	26	71.8 Å²	71.8	14%	0.136	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-47.7	172.8	172	59.1	0	0	0	111.5	V438 C439 F446 H448 S449 R454 H455 M456	V438-L452 WeakPolarHBondContact O-CD2 3.4Å; C439-L452 HydrophobicContact CB-CD1 3.72Å; F446-L452 HydrophobicContact CB-CB 4.46Å; F446-L452 HydrophobicContact CD2-CB 4.04Å; F446-L452 HydrophobicContact CD2-CD1 4.02Å; F446-L452 HydrophobicContact CE2-CD1 4.14Å; F446-L452 HydrophobicContact CG-CB 4.41Å; H448-L452 PolarHBondContact O-N 2.76Å; S449-L452 CarbonylContact O-C 3.52Å; S449-L452 WeakPolarHBondContact O-CA 3.37Å; S449-L452 WeakPolarHBondContact O-CB 3.47Å; S449-L452 PolarHBondContact O-N 3.34Å; S449-L452 VanDerWaalsContact O-N 3.11Å; L452-R454 VanDerWaalsContact C-N 3.34Å; L452-R454 PolarHBondContact O-N 3.3Å; L452-H455 CarbonylContact O-C 3.6Å; L452-H455 WeakPolarHBondContact O-CA 3.45Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 3.26Å; L452-M456 HydrophobicContact CD1-CG 3.82Å; L452-M456 HydrophobicContact CD1-SD 4.16Å; L452-M456 HydrophobicContact CG-CG 4.23Å; L452-M456 WeakPolarHBondContact O-CG 3.45Å; L452-M456 PolarHBondContact O-N 3.5Å
453	T	81.5	Confident	76.7	Confident	97 Å²	97	70.4 Å²	70.4	60%	0.595	39%	0.393	S	S	*	.	H	α-helix	trans	-58.2	-44.2	179.1	-57.9	0	0	0	0	111.8	S449 H455 M456 A457	S449-T453 PolarHBondContact O-N 3.46Å; S449-T453 PolarHBondContact O-OG1 3.18Å; S449-T453 VanDerWaalsContact O-OG1 3.11Å; T453-H455 VanDerWaalsContact C-N 3.3Å; T453-H455 PolarHBondContact O-N 3.11Å; T453-M456 PolarHBondContact O-N 3.12Å; T453-A457 PolarHBondContact O-N 3.37Å
454	R	77.6	Confident	75.7	Confident	100 Å²	100	76.1 Å²	76.1	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-63	-35.7	173.5	-174.2	-179.4	61.1	-137.4	-21.5	112.3	S450 N451 L452	S450-R454 WeakPolarHBondContact O-CB 3.47Å; S450-R454 PolarHBondContact O-N 3.46Å; N451-R454 PolarHBondContact OD1-NH2 3.29Å; L452-R454 VanDerWaalsContact C-N 3.34Å; L452-R454 PolarHBondContact O-N 3.3Å
455	H	81.4	Confident	75	Confident	35 Å²	35	74.6 Å²	74.6	16%	0.162	41%	0.411	C	S	.	.	H	α-helix	trans	-70.8	-39.7	175.1	176.2	55.7	0	0	0	112.8	C442 F446 N451 L452 T453 A457 V458 H459	C442-H455 PolarHBondContact SG-NE2 3.28Å; F446-H455 HydrophobicContact CE1-CB 4.15Å; F446-H455 HydrophobicContact CE2-CB 4.04Å; F446-H455 AromaticContact CE2-CD2 3.4Å; F446-H455 VanDerWaalsContact CE2-CD2 3.4Å; F446-H455 WeakPolarHBondContact CE2-CD2 3.27Å; F446-H455 AromaticContact CE2-CG 3.84Å; F446-H455 HydrophobicContact CZ-CB 3.61Å; F446-H455 AromaticContact CZ-CD2 3.38Å; F446-H455 WeakPolarHBondContact CZ-CD2 3.45Å; F446-H455 AromaticContact CZ-CG 3.39Å; N451-H455 WeakPolarHBondContact O-CB 3.5Å; N451-H455 PolarHBondContact O-N 3.42Å; L452-H455 CarbonylContact O-C 3.6Å; L452-H455 WeakPolarHBondContact O-CA 3.45Å; L452-H455 WeakPolarHBondContact O-CB 3.48Å; L452-H455 PolarHBondContact O-N 3.26Å; T453-H455 VanDerWaalsContact C-N 3.3Å; T453-H455 PolarHBondContact O-N 3.11Å; H455-A457 PolarHBondContact O-N 3.39Å; H455-V458 VanDerWaalsContact O-CB 3.25Å; H455-V458 WeakPolarHBondContact O-CB 3.24Å; H455-V458 PolarHBondContact O-N 2.94Å; H455-H459 AromaticContact CD2-NE2 3.22Å; H455-H459 PolarHBondContact CD2-NE2 3.4Å; H455-H459 AromaticContact CE1-NE2 2.96Å; H455-H459 PolarHBondContact CE1-NE2 2.83Å; H455-H459 AromaticContact ND1-NE2 3.99Å; H455-H459 AromaticContact NE2-CD2 3.76Å; H455-H459 AromaticContact NE2-NE2 2.3Å; H455-H459 PolarHBondContact NE2-NE2 3.32Å
456	M	79	Confident	74.4	Confident	31 Å²	31	72.1 Å²	72.1	15%	0.153	40%	0.4	C	S	.	.	H	α-helix	trans	-60.9	-28.8	174.8	-69.4	-62.3	-68.6	0	0	112.6	C439 P440 L452 T453 V458 H459 R460	C439-M456 PolarHBondContact SG-SD 2.77Å; P440-M456 HydrophobicContact CG-CE 4Å; P440-M456 HydrophobicContact CG-SD 4.32Å; L452-M456 HydrophobicContact CD1-CG 3.82Å; L452-M456 HydrophobicContact CD1-SD 4.16Å; L452-M456 HydrophobicContact CG-CG 4.23Å; L452-M456 WeakPolarHBondContact O-CG 3.45Å; L452-M456 PolarHBondContact O-N 3.5Å; T453-M456 PolarHBondContact O-N 3.12Å; M456-V458 PolarHBondContact O-N 3Å; M456-H459 PolarHBondContact O-N 3.02Å; M456-R460 WeakPolarHBondContact O-CG 3.19Å; M456-R460 PolarHBondContact O-N 2.95Å
457	A	74.4	Confident	74.2	Confident	29 Å²	29	75.1 Å²	75.1	24%	0.24	42%	0.415	C	S	.	.	H	α-helix	trans	-68.2	-16.3	173.8	0	0	0	0	0	113.7	T453 H455 A462 A463	T453-A457 PolarHBondContact O-N 3.37Å; H455-A457 PolarHBondContact O-N 3.39Å; A457-A462 PolarHBondContact O-N 2.97Å; A457-A463 HydrophobicContact CB-CB 3.84Å; A457-A463 WeakPolarHBondContact O-CB 3.46Å; A457-A463 PolarHBondContact O-N 3.02Å
458	V	73.4	Confident	74.3	Confident	90 Å²	90	72 Å²	72	55%	0.545	40%	0.4	S	S	.	.	H	α-helix	trans	-74.4	-47.9	168.2	-174.3	0	0	0	0	110.3	H455 M456 R460 G461	H455-V458 VanDerWaalsContact O-CB 3.25Å; H455-V458 WeakPolarHBondContact O-CB 3.24Å; H455-V458 PolarHBondContact O-N 2.94Å; M456-V458 PolarHBondContact O-N 3Å; V458-R460 VanDerWaalsContact C-N 3.29Å; V458-R460 PolarHBondContact O-N 3.43Å; V458-G461 PolarHBondContact O-N 2.74Å; V458-G461 VanDerWaalsContact O-N 3.08Å
459	H	74.2	Confident	74.2	Confident	92 Å²	92	72 Å²	72	43%	0.426	41%	0.408	S	S	.	.	H	α-helix	trans	-62.3	-34.1	177.3	-68.2	-67.4	0	0	0	113	C439 C441 C442 H455 M456 G461	C439-H459 VanDerWaalsContact SG-CD2 3.6Å; C439-H459 PolarHBondContact SG-NE2 3.31Å; C441-H459 HydrophobicContact CB-CB 4.32Å; C442-H459 WeakPolarHBondContact CB-CE1 3.49Å; C442-H459 PolarHBondContact SG-CE1 3.09Å; C442-H459 PolarHBondContact SG-NE2 3.4Å; H455-H459 AromaticContact CD2-NE2 3.22Å; H455-H459 PolarHBondContact CD2-NE2 3.4Å; H455-H459 AromaticContact CE1-NE2 2.96Å; H455-H459 PolarHBondContact CE1-NE2 2.83Å; H455-H459 AromaticContact ND1-NE2 3.99Å; H455-H459 AromaticContact NE2-CD2 3.76Å; H455-H459 AromaticContact NE2-NE2 2.3Å; H455-H459 PolarHBondContact NE2-NE2 3.32Å; M456-H459 PolarHBondContact O-N 3.02Å; H459-G461 VanDerWaalsContact C-N 3.27Å; H459-G461 PolarHBondContact O-N 3.09Å
460	R	68.8	Low	74.4	Confident	198 Å²	198	74 Å²	74	75%	0.747	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.9	176	-67.5	179.5	177.8	178.4	-1.8	114.2	M456 V458 A462	M456-R460 WeakPolarHBondContact O-CG 3.19Å; M456-R460 PolarHBondContact O-N 2.95Å; V458-R460 VanDerWaalsContact C-N 3.29Å; V458-R460 PolarHBondContact O-N 3.43Å; R460-A462 HydrophobicContact CB-CB 4.37Å; R460-A462 PolarHBondContact O-N 3.35Å
461	G	63.5	Low	74.4	Confident	59 Å²	59	72.6 Å²	72.6	61%	0.608	40%	0.402	S	S	*	.	S	Bend	trans	63.9	-3	-175.8	0	0	0	0	0	115.9	V458 H459	V458-G461 PolarHBondContact O-N 2.74Å; V458-G461 VanDerWaalsContact O-N 3.08Å; H459-G461 VanDerWaalsContact C-N 3.27Å; H459-G461 PolarHBondContact O-N 3.09Å
462	A	59.4	Low	74.3	Confident	79 Å²	79	78.2 Å²	78.2	65%	0.653	42%	0.421	S	S	*	.			trans	-86.7	-7.4	-164.6	0	0	0	0	0	114.7	A457 R460 K464	A457-A462 PolarHBondContact O-N 2.97Å; R460-A462 HydrophobicContact CB-CB 4.37Å; R460-A462 PolarHBondContact O-N 3.35Å; A462-K464 PolarHBondContact O-N 3.25Å
463	A	57.1	Low	74	Confident	23 Å²	23	83.2 Å²	83.2	19%	0.19	44%	0.442	C	S	.	.			trans	-80.4	35.9	-173.1	0	0	0	0	0	115.8	A457 A465 T476	A457-A463 HydrophobicContact CB-CB 3.84Å; A457-A463 WeakPolarHBondContact O-CB 3.46Å; A457-A463 PolarHBondContact O-N 3.02Å; A463-A465 PolarHBondContact O-N 3.23Å; A463-A465 VanDerWaalsContact O-N 3.07Å; A463-T476 HydrophobicContact CB-CG2 3.84Å
464	K	59.1	Low	73.8	Confident	163 Å²	163	81.8 Å²	81.8	71%	0.709	43%	0.433	S	S	*	.			trans	-81.2	42.8	169.3	-68.9	-176.7	178.4	177.1	0	111.8	A462 H466 T474	A462-K464 PolarHBondContact O-N 3.25Å; K464-H466 PolarHBondContact O-N 2.85Å; K464-T474 HydrophobicContact CB-CG2 4.31Å; K464-T474 HydrophobicContact CG-CG2 4.37Å
465	A	65.3	Low	73.9	Confident	66 Å²	66	79 Å²	79	55%	0.545	42%	0.424	S	S	.	.			trans	-73.7	-24.2	-166.8	0	0	0	0	0	114.6	A463	A463-A465 PolarHBondContact O-N 3.23Å; A463-A465 VanDerWaalsContact O-N 3.07Å
466	H	72.4	Confident	73.6	Confident	58 Å²	58	80.5 Å²	80.5	27%	0.269	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	104.4	-174.5	-55.1	-62.1	0	0	0	110.9	K464 F475 K478 L481	K464-H466 PolarHBondContact O-N 2.85Å; H466-F475 HydrophobicContact CB-CB 4.37Å; H466-F475 PolarHBondContact N-O 3.36Å; H466-F475 PolarHBondContact O-N 2.83Å; H466-K478 PolarHBondContact CD2-N 3.49Å; H466-K478 PolarHBondContact NE2-N 3.27Å; H466-L481 HydrophobicContact CB-CB 4.14Å; H466-L481 HydrophobicContact CB-CD2 3.83Å
467	Q	79.6	Confident	73.6	Confident	106 Å²	106	81.9 Å²	81.9	50%	0.495	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	141.6	176.9	-165.9	169.2	24.6	0	0	111	Y472 K473 T474 L481	Q467-Y472 WeakPolarHBondContact CG-O 3.23Å; Q467-Y472 PolarHBondContact NE2-O 2.85Å; Q467-K473 CarbonylContact C-O 3.5Å; Q467-K473 WeakPolarHBondContact CA-O 3.32Å; Q467-T474 HydrophobicContact CB-CG2 4.04Å; Q467-T474 HydrophobicContact CG-CG2 3.86Å; Q467-L481 WeakPolarHBondContact O-CD2 3.48Å
468	C	83.2	Confident	73.9	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	46%	0.459	C	S	.	.			trans	-74.4	125.4	168.6	-178.7	0	0	0	0	110.1	L470 Y472 K473 F475 L481 H484	C468-L470 PolarHBondContact O-N 3.19Å; C468-L470 PolarHBondContact SG-N 3.35Å; C468-Y472 WeakPolarHBondContact O-CA 3.4Å; C468-Y472 PolarHBondContact O-N 3.43Å; C468-K473 PolarHBondContact N-O 3.33Å; C468-F475 HydrophobicContact CB-CE2 4.31Å; C468-L481 HydrophobicContact CB-CD1 3.79Å; C468-H484 PolarHBondContact SG-NE2 3.22Å
469	P	80.1	Confident	74.3	Confident	81 Å²	81	85.9 Å²	85.9	53%	0.526	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.9	178.8	28.3	-34.3	0	0	0	113.5	M485	P469-M485 HydrophobicContact CG-CE 4.31Å
470	L	83.5	Confident	74.7	Confident	104 Å²	104	83.8 Å²	83.8	55%	0.545	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-30	-174.1	-59.3	175.9	0	0	0	114	C468 H488	C468-L470 PolarHBondContact O-N 3.19Å; C468-L470 PolarHBondContact SG-N 3.35Å; L470-H488 HydrophobicContact CD1-CB 3.54Å
471	C	83.6	Confident	75.5	Confident	42 Å²	42	75.4 Å²	75.4	28%	0.284	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	11.3	179.2	71.6	0	0	0	0	114.4	K473 H484 H488	C471-K473 PolarHBondContact O-N 3.18Å; C471-H484 PolarHBondContact SG-NE2 2.81Å; C471-H488 PolarHBondContact SG-NE2 3.48Å; C471-H488 VanDerWaalsContact SG-NE2 3.36Å
472	Y	80.2	Confident	76.5	Confident	164 Å²	164	76.8 Å²	76.8	64%	0.643	41%	0.41	S	S	*	.			trans	57.8	5.9	174.7	-58.6	-76.8	0	0	0	116.7	Q467 C468	Q467-Y472 WeakPolarHBondContact CG-O 3.23Å; Q467-Y472 PolarHBondContact NE2-O 2.85Å; C468-Y472 WeakPolarHBondContact O-CA 3.4Å; C468-Y472 PolarHBondContact O-N 3.43Å
473	K	77.3	Confident	77.7	Confident	131 Å²	131	75.3 Å²	75.3	57%	0.57	39%	0.392	S	S	*	.			trans	-62.7	137.8	173.5	-67.6	-178.9	-174.5	-178.4	0	110.5	Q467 C468 C471 F475	Q467-K473 CarbonylContact C-O 3.5Å; Q467-K473 WeakPolarHBondContact CA-O 3.32Å; C468-K473 PolarHBondContact N-O 3.33Å; C471-K473 PolarHBondContact O-N 3.18Å; K473-F475 HydrophobicContact CB-CE2 3.78Å; K473-F475 HydrophobicContact CB-CZ 4.08Å; K473-F475 WeakPolarHBondContact O-CE2 3.43Å
474	T	77.6	Confident	79	Confident	66 Å²	66	75.3 Å²	75.3	41%	0.405	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.1	-177.4	47.1	0	0	0	0	111.6	K464 Q467	K464-T474 HydrophobicContact CB-CG2 4.31Å; K464-T474 HydrophobicContact CG-CG2 4.37Å; Q467-T474 HydrophobicContact CB-CG2 4.04Å; Q467-T474 HydrophobicContact CG-CG2 3.86Å
475	F	78.7	Confident	80.2	Confident	43 Å²	43	70.3 Å²	70.3	19%	0.189	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144	-174	-63.2	-90.7	0	0	0	110.5	H466 C468 K473 Q477 L481 H484	H466-F475 HydrophobicContact CB-CB 4.37Å; H466-F475 PolarHBondContact N-O 3.36Å; H466-F475 PolarHBondContact O-N 2.83Å; C468-F475 HydrophobicContact CB-CE2 4.31Å; K473-F475 HydrophobicContact CB-CE2 3.78Å; K473-F475 HydrophobicContact CB-CZ 4.08Å; K473-F475 WeakPolarHBondContact O-CE2 3.43Å; F475-Q477 VanDerWaalsContact C-N 3.29Å; F475-Q477 PolarHBondContact O-N 3.49Å; F475-L481 HydrophobicContact CB-CB 4.33Å; F475-L481 HydrophobicContact CD2-CB 4.21Å; F475-L481 HydrophobicContact CD2-CD1 4.01Å; F475-L481 HydrophobicContact CE2-CD1 4.23Å; F475-L481 HydrophobicContact CG-CB 4.33Å; F475-H484 HydrophobicContact CE1-CB 4.05Å; F475-H484 HydrophobicContact CE2-CB 4.37Å; F475-H484 AromaticContact CE2-CD2 3.19Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.39Å; F475-H484 AromaticContact CE2-CG 3.91Å; F475-H484 AromaticContact CE2-NE2 3.78Å; F475-H484 HydrophobicContact CZ-CB 3.77Å; F475-H484 AromaticContact CZ-CD2 3.15Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.4Å; F475-H484 AromaticContact CZ-CG 3.4Å; F475-H484 AromaticContact CZ-NE2 3.75Å
476	T	76.2	Confident	81.2	Confident	66 Å²	66	68.1 Å²	68.1	41%	0.405	35%	0.347	S	S	.	.	S	Bend	trans	-81.7	-6.4	179.6	58	0	0	0	0	113.4	A463	A463-T476 HydrophobicContact CB-CG2 3.84Å
477	Q	77.4	Confident	81.6	Confident	59 Å²	59	69.7 Å²	69.7	28%	0.276	36%	0.357	S	S	.	.	S	Bend	trans	-146.2	138	-177.9	-60.3	175.4	85.1	0	0	111.6	F475 S479 T480 L481	F475-Q477 VanDerWaalsContact C-N 3.29Å; F475-Q477 PolarHBondContact O-N 3.49Å; Q477-S479 VanDerWaalsContact C-N 3.27Å; Q477-S479 PolarHBondContact O-N 3.12Å; Q477-T480 HydrophobicContact CB-CG2 4.4Å; Q477-T480 PolarHBondContact O-N 2.86Å; Q477-T480 VanDerWaalsContact O-N 3.15Å; Q477-T480 PolarHBondContact O-OG1 3.41Å; Q477-L481 PolarHBondContact O-N 3.05Å
478	K	81.7	Confident	81.7	Confident	139 Å²	139	68.6 Å²	68.6	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-59.5	-37.8	177.4	-168.8	-179.3	179	-178.4	0	112.1	H466 T480 L481 I482	H466-K478 PolarHBondContact CD2-N 3.49Å; H466-K478 PolarHBondContact NE2-N 3.27Å; K478-T480 PolarHBondContact O-N 2.68Å; K478-L481 WeakPolarHBondContact O-CB 3.49Å; K478-L481 PolarHBondContact O-N 3.36Å; K478-I482 HydrophobicContact CG-CD1 4.18Å; K478-I482 WeakPolarHBondContact O-CG1 3.4Å; K478-I482 PolarHBondContact O-N 2.93Å
479	S	82.3	Confident	81.6	Confident	65 Å²	65	72 Å²	72	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-58.4	-44.1	174.7	48.8	0	0	0	0	112.8	Q477 L481 I482 D483	Q477-S479 VanDerWaalsContact C-N 3.27Å; Q477-S479 PolarHBondContact O-N 3.12Å; S479-L481 VanDerWaalsContact C-N 3.31Å; S479-L481 PolarHBondContact O-N 3.16Å; S479-I482 PolarHBondContact O-N 3.33Å; S479-D483 PolarHBondContact O-N 2.98Å
480	T	81.8	Confident	81.6	Confident	47 Å²	47	70.5 Å²	70.5	29%	0.288	37%	0.374	S	S	.	.	H	α-helix	trans	-71.4	-24.5	177.3	51.9	0	0	0	0	113.5	Q477 K478 H484	Q477-T480 HydrophobicContact CB-CG2 4.4Å; Q477-T480 PolarHBondContact O-N 2.86Å; Q477-T480 VanDerWaalsContact O-N 3.15Å; Q477-T480 PolarHBondContact O-OG1 3.41Å; K478-T480 PolarHBondContact O-N 2.68Å; T480-H484 VanDerWaalsContact O-CB 3.27Å; T480-H484 WeakPolarHBondContact O-CB 3.48Å; T480-H484 PolarHBondContact O-N 3.1Å
481	L	85.5	Confident	81.4	Confident	22 Å²	22	70.8 Å²	70.8	12%	0.115	37%	0.373	C	S	.	.	H	α-helix	trans	-70.7	-42	168.3	171.4	60	0	0	0	111	H466 Q467 C468 F475 Q477 K478 S479 H484 M485	H466-L481 HydrophobicContact CB-CB 4.14Å; H466-L481 HydrophobicContact CB-CD2 3.83Å; Q467-L481 WeakPolarHBondContact O-CD2 3.48Å; C468-L481 HydrophobicContact CB-CD1 3.79Å; F475-L481 HydrophobicContact CB-CB 4.33Å; F475-L481 HydrophobicContact CD2-CB 4.21Å; F475-L481 HydrophobicContact CD2-CD1 4.01Å; F475-L481 HydrophobicContact CE2-CD1 4.23Å; F475-L481 HydrophobicContact CG-CB 4.33Å; Q477-L481 PolarHBondContact O-N 3.05Å; K478-L481 WeakPolarHBondContact O-CB 3.49Å; K478-L481 PolarHBondContact O-N 3.36Å; S479-L481 VanDerWaalsContact C-N 3.31Å; S479-L481 PolarHBondContact O-N 3.16Å; L481-H484 CarbonylContact O-C 3.39Å; L481-H484 WeakPolarHBondContact O-CB 3.28Å; L481-H484 PolarHBondContact O-N 3.5Å; L481-M485 HydrophobicContact CD1-CG 4.01Å; L481-M485 HydrophobicContact CD1-SD 4.41Å; L481-M485 HydrophobicContact CG-CG 4.48Å; L481-M485 WeakPolarHBondContact O-CG 3.48Å; L481-M485 PolarHBondContact O-N 3.28Å
482	I	84.9	Confident	81.4	Confident	88 Å²	88	75.9 Å²	75.9	45%	0.451	39%	0.386	S	S	.	.	H	α-helix	trans	-64.5	-50.7	177.9	-65.3	162.5	0	0	0	110.8	K478 S479 H484 M485 N486	K478-I482 HydrophobicContact CG-CD1 4.18Å; K478-I482 WeakPolarHBondContact O-CG1 3.4Å; K478-I482 PolarHBondContact O-N 2.93Å; S479-I482 PolarHBondContact O-N 3.33Å; I482-H484 PolarHBondContact O-N 3.18Å; I482-M485 PolarHBondContact O-N 3.09Å; I482-N486 PolarHBondContact O-N 3.46Å; I482-N486 VanDerWaalsContact O-N 3.08Å; I482-N486 PolarHBondContact O-OD1 3.15Å
483	D	84.3	Confident	81.5	Confident	49 Å²	49	71 Å²	71	26%	0.262	37%	0.374	S	S	.	.	H	α-helix	trans	-54.6	-25.1	173.9	-89.4	-1.6	0	0	0	113	S479 H505	S479-D483 PolarHBondContact O-N 2.98Å; D483-H505 HydrophobicContact CB-CB 3.75Å; D483-H505 VanDerWaalsContact CG-CB 3.5Å
484	H	84.6	Confident	81.9	Confident	22 Å²	22	66.5 Å²	66.5	10%	0.102	36%	0.355	C	S	.	.	H	α-helix	trans	-88	-36.9	175.1	166.3	53.9	0	0	0	113.2	C468 C471 F475 T480 L481 I482 N486 L487 H488	C468-H484 PolarHBondContact SG-NE2 3.22Å; C471-H484 PolarHBondContact SG-NE2 2.81Å; F475-H484 HydrophobicContact CE1-CB 4.05Å; F475-H484 HydrophobicContact CE2-CB 4.37Å; F475-H484 AromaticContact CE2-CD2 3.19Å; F475-H484 WeakPolarHBondContact CE2-CD2 3.39Å; F475-H484 AromaticContact CE2-CG 3.91Å; F475-H484 AromaticContact CE2-NE2 3.78Å; F475-H484 HydrophobicContact CZ-CB 3.77Å; F475-H484 AromaticContact CZ-CD2 3.15Å; F475-H484 WeakPolarHBondContact CZ-CD2 3.4Å; F475-H484 AromaticContact CZ-CG 3.4Å; F475-H484 AromaticContact CZ-NE2 3.75Å; T480-H484 VanDerWaalsContact O-CB 3.27Å; T480-H484 WeakPolarHBondContact O-CB 3.48Å; T480-H484 PolarHBondContact O-N 3.1Å; L481-H484 CarbonylContact O-C 3.39Å; L481-H484 WeakPolarHBondContact O-CB 3.28Å; L481-H484 PolarHBondContact O-N 3.5Å; I482-H484 PolarHBondContact O-N 3.18Å; H484-N486 VanDerWaalsContact C-N 3.25Å; H484-N486 PolarHBondContact O-N 2.94Å; H484-L487 VanDerWaalsContact O-CB 3.24Å; H484-L487 WeakPolarHBondContact O-CB 3.31Å; H484-L487 PolarHBondContact O-N 3.08Å; H484-H488 AromaticContact CE1-CD2 3.65Å; H484-H488 AromaticContact CE1-NE2 3.37Å; H484-H488 PolarHBondContact CE1-NE2 3.49Å; H484-H488 AromaticContact NE2-CD2 3.88Å; H484-H488 AromaticContact NE2-NE2 3.61Å
485	M	84.3	Confident	82.3	Confident	59 Å²	59	69.9 Å²	69.9	29%	0.291	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-31.2	174.3	-75.3	-163.7	68.1	0	0	112.1	P469 L481 I482 L487 H488 S489	P469-M485 HydrophobicContact CG-CE 4.31Å; L481-M485 HydrophobicContact CD1-CG 4.01Å; L481-M485 HydrophobicContact CD1-SD 4.41Å; L481-M485 HydrophobicContact CG-CG 4.48Å; L481-M485 WeakPolarHBondContact O-CG 3.48Å; L481-M485 PolarHBondContact O-N 3.28Å; I482-M485 PolarHBondContact O-N 3.09Å; M485-L487 PolarHBondContact O-N 3Å; M485-L487 VanDerWaalsContact O-N 3.12Å; M485-H488 WeakPolarHBondContact O-CA 3.36Å; M485-H488 WeakPolarHBondContact O-CB 3.41Å; M485-H488 PolarHBondContact O-N 3.2Å; M485-S489 PolarHBondContact O-N 3.44Å; M485-S489 PolarHBondContact O-OG 3.08Å
486	N	85.6	Confident	82.7	Confident	20 Å²	20	67.9 Å²	67.9	11%	0.107	35%	0.352	C	S	.	.	H	α-helix	trans	-55.2	-29.1	169.8	-61.5	-4.5	0	0	0	112.7	I482 H484 G490 E491 A504	I482-N486 PolarHBondContact O-N 3.46Å; I482-N486 VanDerWaalsContact O-N 3.08Å; I482-N486 PolarHBondContact O-OD1 3.15Å; H484-N486 VanDerWaalsContact C-N 3.25Å; H484-N486 PolarHBondContact O-N 2.94Å; N486-G490 CarbonylContact O-C 3.21Å; N486-G490 PolarHBondContact O-N 3.33Å; N486-E491 PolarHBondContact O-N 2.86Å; N486-E491 VanDerWaalsContact O-N 3.1Å; N486-A504 HydrophobicContact CB-CB 4.07Å; N486-A504 WeakPolarHBondContact CB-O 3.46Å; N486-A504 PolarHBondContact ND2-O 3.04Å
487	L	81.2	Confident	83.1	Confident	91 Å²	91	67 Å²	67	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-74	-26.5	175.1	-57.7	168.3	0	0	0	112.7	H484 M485 A504	H484-L487 VanDerWaalsContact O-CB 3.24Å; H484-L487 WeakPolarHBondContact O-CB 3.31Å; H484-L487 PolarHBondContact O-N 3.08Å; M485-L487 PolarHBondContact O-N 3Å; M485-L487 VanDerWaalsContact O-N 3.12Å; L487-A504 HydrophobicContact CD2-CB 3.55Å; L487-A504 HydrophobicContact CG-CB 4.28Å
488	H	82	Confident	83.2	Confident	82 Å²	82	68.2 Å²	68.2	38%	0.38	35%	0.354	S	S	.	.	H	α-helix	trans	-83.4	-45.5	175.7	-78.2	-78.6	0	0	0	112	L470 C471 H484 M485 G490	L470-H488 HydrophobicContact CD1-CB 3.54Å; C471-H488 PolarHBondContact SG-NE2 3.48Å; C471-H488 VanDerWaalsContact SG-NE2 3.36Å; H484-H488 AromaticContact CE1-CD2 3.65Å; H484-H488 AromaticContact CE1-NE2 3.37Å; H484-H488 PolarHBondContact CE1-NE2 3.49Å; H484-H488 AromaticContact NE2-CD2 3.88Å; H484-H488 AromaticContact NE2-NE2 3.61Å; M485-H488 WeakPolarHBondContact O-CA 3.36Å; M485-H488 WeakPolarHBondContact O-CB 3.41Å; M485-H488 PolarHBondContact O-N 3.2Å; H488-G490 PolarHBondContact O-N 2.95Å
489	S	80.4	Confident	83.4	Confident	72 Å²	72	64.5 Å²	64.5	50%	0.503	34%	0.344	S	S	.	.	S	Bend	trans	-69.3	-10.7	175.5	-51.3	0	0	0	0	113.3	M485 E491	M485-S489 PolarHBondContact O-N 3.44Å; M485-S489 PolarHBondContact O-OG 3.08Å; S489-E491 WeakPolarHBondContact CB-OE1 3.39Å; S489-E491 PolarHBondContact O-N 2.87Å
490	G	79.8	Confident	83.5	Confident	49 Å²	49	66.3 Å²	66.3	51%	0.505	35%	0.346	S	S	.	.			trans	70.5	2.7	-171.7	0	0	0	0	0	114.1	N486 H488	N486-G490 CarbonylContact O-C 3.21Å; N486-G490 PolarHBondContact O-N 3.33Å; H488-G490 PolarHBondContact O-N 2.95Å
491	E	80.6	Confident	83.7	Confident	110 Å²	110	65.8 Å²	65.8	51%	0.514	35%	0.346	S	S	.	.			trans	-64	134.2	-177.7	-76.4	178.8	-127.4	0	0	112.1	N486 S489 P493 A504	N486-E491 PolarHBondContact O-N 2.86Å; N486-E491 VanDerWaalsContact O-N 3.1Å; S489-E491 WeakPolarHBondContact CB-OE1 3.39Å; S489-E491 PolarHBondContact O-N 2.87Å; E491-P493 WeakPolarHBondContact O-CD 3.11Å; E491-A504 WeakPolarHBondContact O-CA 3.35Å
492	R	82.6	Confident	83.8	Confident	149 Å²	149	71.1 Å²	71.1	56%	0.562	37%	0.365	S	S	*	.			trans	-127.9	71.1	-179	-63.3	175.9	-175.4	-155.2	4.8	109.8	H494 R502 F503	R492-H494 VanDerWaalsContact C-N 3.28Å; R492-H494 PolarHBondContact O-N 3.44Å; R492-R502 HydrophobicContact CB-CB 3.56Å; R492-R502 WeakPolarHBondContact CD-O 3.48Å; R492-R502 VanDerWaalsContact O-CZ 3.32Å; R492-R502 PolarHBondContact O-NE 2.92Å; R492-R502 PolarHBondContact O-NH2 3.45Å; R492-F503 CarbonylContact C-O 3.55Å; R492-F503 WeakPolarHBondContact CA-O 3.49Å
493	P	83.4	Confident	83.8	Confident	62 Å²	62	68.8 Å²	68.8	40%	0.403	35%	0.351	S	S	.	.			trans	-62.6	-33.6	-174.2	23.2	-33.1	0	0	0	112.5	E491	E491-P493 WeakPolarHBondContact O-CD 3.11Å
494	H	84.4	Confident	83.7	Confident	37 Å²	37	67 Å²	67	17%	0.171	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.8	-173.7	-49.9	-50.6	0	0	0	112.1	R492 R502 F503 K506 L509	R492-H494 VanDerWaalsContact C-N 3.28Å; R492-H494 PolarHBondContact O-N 3.44Å; H494-R502 CarbonylContact O-C 3.51Å; H494-R502 VanDerWaalsContact O-CA 3.28Å; H494-R502 WeakPolarHBondContact O-CA 3.35Å; H494-F503 PolarHBondContact N-O 2.86Å; H494-F503 PolarHBondContact O-N 2.98Å; H494-K506 PolarHBondContact CD2-N 3.47Å; H494-K506 VanDerWaalsContact CD2-N 3.33Å; H494-K506 VanDerWaalsContact CE1-CE 3.41Å; H494-K506 WeakPolarHBondContact CE1-CE 3.37Å; H494-K506 VanDerWaalsContact CE1-CG 3.48Å; H494-K506 WeakPolarHBondContact CE1-CG 3.45Å; H494-K506 WeakPolarHBondContact NE2-CG 3.49Å; H494-L509 HydrophobicContact CB-CB 4.34Å; H494-L509 HydrophobicContact CB-CD2 3.89Å
495	R	87.4	Confident	83.8	Confident	137 Å²	137	67.9 Å²	67.9	52%	0.517	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.2	179	-179.3	177	173.3	178.3	-4.3	110.5	H500 R502	R495-H500 HydrophobicContact CG-CB 4.47Å; R495-H500 PolarHBondContact NE-ND1 3.23Å; R495-H500 PolarHBondContact NH2-CD2 2.98Å; R495-H500 PolarHBondContact NH2-CE1 2.83Å; R495-H500 PolarHBondContact NH2-ND1 3.47Å; R495-H500 PolarHBondContact NH2-NE2 2.96Å; R495-R502 HydrophobicContact CB-CG 4.46Å
496	C	87.5	Confident	83.7	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.007	36%	0.361	C	S	.	.			trans	-76	125.9	167.7	-179.9	0	0	0	0	110.5	Y498 C499 H500 A501 F503 L509 H512	C496-Y498 VanDerWaalsContact C-N 3.29Å; C496-Y498 PolarHBondContact O-N 3.23Å; C496-Y498 PolarHBondContact SG-N 3.19Å; C496-C499 VanDerWaalsContact SG-SG 3.68Å; C496-H500 WeakPolarHBondContact O-CA 3.39Å; C496-H500 PolarHBondContact O-N 2.8Å; C496-H500 PolarHBondContact O-ND1 3.1Å; C496-A501 PolarHBondContact N-O 2.85Å; C496-F503 HydrophobicContact CB-CE2 4.3Å; C496-L509 HydrophobicContact CB-CD1 3.87Å; C496-H512 PolarHBondContact SG-NE2 3.01Å
497	A	82.8	Confident	83.7	Confident	46 Å²	46	72.2 Å²	72.2	38%	0.38	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-41.3	175.4	0	0	0	0	0	112.2	H500	A497-H500 PolarHBondContact O-CE1 3.45Å; A497-H500 PolarHBondContact O-ND1 3.19Å
498	Y	80.8	Confident	83.9	Confident	86 Å²	86	68.5 Å²	68.5	34%	0.337	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-37.4	-171.2	-60.9	-68.4	0	0	0	115.7	C496 L513 H517 T520	C496-Y498 VanDerWaalsContact C-N 3.29Å; C496-Y498 PolarHBondContact O-N 3.23Å; C496-Y498 PolarHBondContact SG-N 3.19Å; Y498-L513 HydrophobicContact CD2-CD2 3.93Å; Y498-L513 HydrophobicContact CE2-CD2 4.25Å; Y498-H517 HydrophobicContact CD2-CB 3.8Å; Y498-H517 AromaticContact CD2-CG 3.72Å; Y498-H517 HydrophobicContact CE2-CB 4.2Å; Y498-H517 HydrophobicContact CG-CB 4.49Å; Y498-T520 VanDerWaalsContact CZ-OG1 3.26Å; Y498-T520 WeakPolarHBondContact OH-CB 3.11Å; Y498-T520 PolarHBondContact OH-OG1 3.49Å
499	C	85.8	Confident	84.2	Confident	60 Å²	60	65.9 Å²	65.9	41%	0.405	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	2.1	-177.4	73.7	0	0	0	0	114.4	C496 A501 H512	C496-C499 VanDerWaalsContact SG-SG 3.68Å; C499-A501 PolarHBondContact O-N 3.07Å; C499-H512 PolarHBondContact SG-CE1 3.26Å; C499-H512 PolarHBondContact SG-NE2 3.17Å
500	H	84.9	Confident	84.5	Confident	104 Å²	104	69.9 Å²	69.9	48%	0.481	34%	0.343	S	S	.	.			trans	60.8	6	176.7	-54	-24.2	0	0	0	116.8	R495 C496 A497 R502	R495-H500 HydrophobicContact CG-CB 4.47Å; R495-H500 PolarHBondContact NE-ND1 3.23Å; R495-H500 PolarHBondContact NH2-CD2 2.98Å; R495-H500 PolarHBondContact NH2-CE1 2.83Å; R495-H500 PolarHBondContact NH2-ND1 3.47Å; R495-H500 PolarHBondContact NH2-NE2 2.96Å; C496-H500 WeakPolarHBondContact O-CA 3.39Å; C496-H500 PolarHBondContact O-N 2.8Å; C496-H500 PolarHBondContact O-ND1 3.1Å; A497-H500 PolarHBondContact O-CE1 3.45Å; A497-H500 PolarHBondContact O-ND1 3.19Å; H500-R502 PolarHBondContact O-N 3.18Å
501	A	85.4	Confident	84.8	Confident	36 Å²	36	71.1 Å²	71.1	30%	0.298	33%	0.332	S	S	.	.			trans	-52.5	136.7	166.8	0	0	0	0	0	110.7	C496 C499 F503	C496-A501 PolarHBondContact N-O 2.85Å; C499-A501 PolarHBondContact O-N 3.07Å; A501-F503 HydrophobicContact CB-CE2 3.76Å; A501-F503 HydrophobicContact CB-CZ 3.74Å; A501-F503 VanDerWaalsContact O-CE2 3.32Å; A501-F503 WeakPolarHBondContact O-CE2 3.48Å
502	R	86.4	Confident	85.1	Confident	133 Å²	133	67 Å²	67	50%	0.502	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.5	-177.8	-55.5	-171.8	66.7	145	4.2	111.5	R492 H494 R495 H500	R492-R502 HydrophobicContact CB-CB 3.56Å; R492-R502 WeakPolarHBondContact CD-O 3.48Å; R492-R502 VanDerWaalsContact O-CZ 3.32Å; R492-R502 PolarHBondContact O-NE 2.92Å; R492-R502 PolarHBondContact O-NH2 3.45Å; H494-R502 CarbonylContact O-C 3.51Å; H494-R502 VanDerWaalsContact O-CA 3.28Å; H494-R502 WeakPolarHBondContact O-CA 3.35Å; R495-R502 HydrophobicContact CB-CG 4.46Å; H500-R502 PolarHBondContact O-N 3.18Å
503	F	85.2	Confident	85.3	Confident	40 Å²	40	61 Å²	61	18%	0.175	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.6	-173	-56.5	-86.6	0	0	0	111.6	R492 H494 C496 A501 A508 L509 H512	R492-F503 CarbonylContact C-O 3.55Å; R492-F503 WeakPolarHBondContact CA-O 3.49Å; H494-F503 PolarHBondContact N-O 2.86Å; H494-F503 PolarHBondContact O-N 2.98Å; C496-F503 HydrophobicContact CB-CE2 4.3Å; A501-F503 HydrophobicContact CB-CE2 3.76Å; A501-F503 HydrophobicContact CB-CZ 3.74Å; A501-F503 VanDerWaalsContact O-CE2 3.32Å; A501-F503 WeakPolarHBondContact O-CE2 3.48Å; F503-A508 HydrophobicContact CB-CB 4.22Å; F503-A508 HydrophobicContact CD1-CB 3.98Å; F503-A508 HydrophobicContact CG-CB 4.41Å; F503-L509 HydrophobicContact CB-CB 4.32Å; F503-L509 HydrophobicContact CD2-CB 3.89Å; F503-L509 HydrophobicContact CD2-CD1 3.75Å; F503-L509 HydrophobicContact CD2-CG 4.39Å; F503-L509 HydrophobicContact CE2-CD1 3.81Å; F503-L509 HydrophobicContact CG-CB 4.2Å; F503-H512 HydrophobicContact CE1-CB 3.85Å; F503-H512 HydrophobicContact CE2-CB 4.18Å; F503-H512 AromaticContact CE2-CD2 3.63Å; F503-H512 AromaticContact CE2-CG 3.84Å; F503-H512 HydrophobicContact CZ-CB 3.52Å; F503-H512 AromaticContact CZ-CD2 3.55Å; F503-H512 AromaticContact CZ-CG 3.27Å; F503-H512 AromaticContact CZ-ND1 3.68Å
504	A	83.8	Confident	85.4	Confident	12 Å²	12	66.2 Å²	66.2	10%	0.099	31%	0.308	C	S	.	.	S	Bend	trans	-73.2	-27.6	-177.9	0	0	0	0	0	114.3	N486 L487 E491	N486-A504 HydrophobicContact CB-CB 4.07Å; N486-A504 WeakPolarHBondContact CB-O 3.46Å; N486-A504 PolarHBondContact ND2-O 3.04Å; L487-A504 HydrophobicContact CD2-CB 3.55Å; L487-A504 HydrophobicContact CG-CB 4.28Å; E491-A504 WeakPolarHBondContact O-CA 3.35Å
505	H	84.9	Confident	85.5	Confident	40 Å²	40	70.3 Å²	70.3	19%	0.185	33%	0.328	C	S	.	.	S	Bend	trans	-147.2	149.5	-177.8	51.7	-108	0	0	0	112.6	D483 P507 A508	D483-H505 HydrophobicContact CB-CB 3.75Å; D483-H505 VanDerWaalsContact CG-CB 3.5Å; H505-P507 VanDerWaalsContact C-CD 3.48Å; H505-A508 PolarHBondContact O-N 3.16Å; H505-A508 VanDerWaalsContact O-N 3.11Å
506	K	82.9	Confident	85.1	Confident	133 Å²	133	69.9 Å²	69.9	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-56.5	-35.7	-172.4	-59.5	-172.8	-178.3	-176.2	0	115.3	H494 A508 L509 R510	H494-K506 PolarHBondContact CD2-N 3.47Å; H494-K506 VanDerWaalsContact CD2-N 3.33Å; H494-K506 VanDerWaalsContact CE1-CE 3.41Å; H494-K506 WeakPolarHBondContact CE1-CE 3.37Å; H494-K506 VanDerWaalsContact CE1-CG 3.48Å; H494-K506 WeakPolarHBondContact CE1-CG 3.45Å; H494-K506 WeakPolarHBondContact NE2-CG 3.49Å; K506-A508 VanDerWaalsContact C-N 3.34Å; K506-A508 PolarHBondContact O-N 3.37Å; K506-L509 PolarHBondContact O-N 3.48Å; K506-R510 PolarHBondContact O-N 3.32Å; K506-R510 VanDerWaalsContact O-N 3.08Å
507	P	84.8	Confident	84.9	Confident	36 Å²	36	71.9 Å²	71.9	23%	0.234	34%	0.341	C	S	.	.	H	α-helix	trans	-56	-41.2	173.4	-27.9	34.9	0	0	0	114.5	Y321 H505 R510 R511	Y321-P507 HydrophobicContact CE2-CB 4.13Å; Y321-P507 VanDerWaalsContact OH-C 3.31Å; Y321-P507 WeakPolarHBondContact OH-CB 3.05Å; Y321-P507 PolarHBondContact OH-O 3.3Å; H505-P507 VanDerWaalsContact C-CD 3.48Å; P507-R510 PolarHBondContact O-N 3.24Å; P507-R511 PolarHBondContact O-N 2.88Å
508	A	86.1	Confident	84.1	Confident	14 Å²	14	71.6 Å²	71.6	12%	0.116	34%	0.342	C	S	.	.	H	α-helix	trans	-67.3	-41.8	-179.1	0	0	0	0	0	112	F503 H505 K506 R511 H512	F503-A508 HydrophobicContact CB-CB 4.22Å; F503-A508 HydrophobicContact CD1-CB 3.98Å; F503-A508 HydrophobicContact CG-CB 4.41Å; H505-A508 PolarHBondContact O-N 3.16Å; H505-A508 VanDerWaalsContact O-N 3.11Å; K506-A508 VanDerWaalsContact C-N 3.34Å; K506-A508 PolarHBondContact O-N 3.37Å; A508-R511 PolarHBondContact O-N 2.95Å; A508-H512 WeakPolarHBondContact O-CB 3.28Å; A508-H512 PolarHBondContact O-N 2.84Å
509	L	88.5	Confident	83.1	Confident	27 Å²	27	77.4 Å²	77.4	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-60.3	-45.4	172.5	174.5	60.3	0	0	0	111.2	H494 C496 F503 K506 R511 H512 L513	H494-L509 HydrophobicContact CB-CB 4.34Å; H494-L509 HydrophobicContact CB-CD2 3.89Å; C496-L509 HydrophobicContact CB-CD1 3.87Å; F503-L509 HydrophobicContact CB-CB 4.32Å; F503-L509 HydrophobicContact CD2-CB 3.89Å; F503-L509 HydrophobicContact CD2-CD1 3.75Å; F503-L509 HydrophobicContact CD2-CG 4.39Å; F503-L509 HydrophobicContact CE2-CD1 3.81Å; F503-L509 HydrophobicContact CG-CB 4.2Å; K506-L509 PolarHBondContact O-N 3.48Å; L509-R511 VanDerWaalsContact C-N 3.35Å; L509-R511 PolarHBondContact O-N 2.71Å; L509-H512 PolarHBondContact O-N 3.38Å; L509-L513 HydrophobicContact CD1-CD1 3.96Å; L509-L513 HydrophobicContact CD1-CD2 4.47Å; L509-L513 HydrophobicContact CD1-CG 3.89Å; L509-L513 HydrophobicContact CG-CD1 3.88Å; L509-L513 HydrophobicContact CG-CG 4.28Å; L509-L513 WeakPolarHBondContact O-CB 3.48Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 2.96Å
510	R	85.7	Confident	81.6	Confident	156 Å²	156	77.2 Å²	77.2	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-63.4	-37.7	178.2	-72.3	-174.9	-64	147.2	-0.9	112.9	K506 P507 K514	K506-R510 PolarHBondContact O-N 3.32Å; K506-R510 VanDerWaalsContact O-N 3.08Å; P507-R510 PolarHBondContact O-N 3.24Å; R510-K514 WeakPolarHBondContact O-CB 3.48Å; R510-K514 PolarHBondContact O-N 2.9Å; R510-K514 VanDerWaalsContact O-N 3.09Å
511	R	86.5	Confident	80.2	Confident	75 Å²	75	76.6 Å²	76.6	28%	0.283	37%	0.369	S	S	.	.	H	α-helix	trans	-62.2	-52.6	173	178.5	168.6	69.3	-151.3	2.9	110.9	W320 Y321 P507 A508 L509 L513 K514 E515	W320-R511 PolarHBondContact O-NH1 3.2Å; W320-R511 PolarHBondContact O-NH2 3.03Å; Y321-R511 VanDerWaalsContact CE2-NH1 3.26Å; P507-R511 PolarHBondContact O-N 2.88Å; A508-R511 PolarHBondContact O-N 2.95Å; L509-R511 VanDerWaalsContact C-N 3.35Å; L509-R511 PolarHBondContact O-N 2.71Å; R511-L513 PolarHBondContact O-N 2.84Å; R511-K514 WeakPolarHBondContact O-CB 3.45Å; R511-K514 PolarHBondContact O-N 3.35Å; R511-K514 VanDerWaalsContact O-N 3.09Å; R511-E515 WeakPolarHBondContact CD-OE1 3.5Å; R511-E515 HydrophobicContact CG-CG 4.42Å; R511-E515 WeakPolarHBondContact CG-OE1 3.21Å; R511-E515 WeakPolarHBondContact O-CG 3.36Å; R511-E515 PolarHBondContact O-N 3.37Å
512	H	87.3	Confident	78.7	Confident	24 Å²	24	78 Å²	78	11%	0.111	39%	0.387	C	S	.	.	H	α-helix	trans	-56.6	-45.5	176.6	163	79.3	0	0	0	112.9	C496 C499 F503 A508 L509 K514 E515 Q516 H517	C496-H512 PolarHBondContact SG-NE2 3.01Å; C499-H512 PolarHBondContact SG-CE1 3.26Å; C499-H512 PolarHBondContact SG-NE2 3.17Å; F503-H512 HydrophobicContact CE1-CB 3.85Å; F503-H512 HydrophobicContact CE2-CB 4.18Å; F503-H512 AromaticContact CE2-CD2 3.63Å; F503-H512 AromaticContact CE2-CG 3.84Å; F503-H512 HydrophobicContact CZ-CB 3.52Å; F503-H512 AromaticContact CZ-CD2 3.55Å; F503-H512 AromaticContact CZ-CG 3.27Å; F503-H512 AromaticContact CZ-ND1 3.68Å; A508-H512 WeakPolarHBondContact O-CB 3.28Å; A508-H512 PolarHBondContact O-N 2.84Å; L509-H512 PolarHBondContact O-N 3.38Å; H512-K514 VanDerWaalsContact C-N 3.31Å; H512-K514 PolarHBondContact O-N 3.21Å; H512-E515 PolarHBondContact O-N 3.24Å; H512-Q516 WeakPolarHBondContact ND1-CG 3.41Å; H512-Q516 WeakPolarHBondContact O-CB 3.5Å; H512-Q516 PolarHBondContact O-N 3.35Å; H512-H517 AromaticContact CE1-NE2 3.83Å; H512-H517 AromaticContact NE2-CD2 3.62Å; H512-H517 AromaticContact NE2-NE2 3.49Å; H512-H517 PolarHBondContact NE2-NE2 3.33Å
513	L	86.6	Confident	77	Confident	23 Å²	23	77.3 Å²	77.3	12%	0.12	39%	0.39	C	S	.	.	H	α-helix	trans	-60.5	-39.2	176	-74.6	170.5	0	0	0	111.8	Y498 L509 R511 H517 G518	Y498-L513 HydrophobicContact CD2-CD2 3.93Å; Y498-L513 HydrophobicContact CE2-CD2 4.25Å; L509-L513 HydrophobicContact CD1-CD1 3.96Å; L509-L513 HydrophobicContact CD1-CD2 4.47Å; L509-L513 HydrophobicContact CD1-CG 3.89Å; L509-L513 HydrophobicContact CG-CD1 3.88Å; L509-L513 HydrophobicContact CG-CG 4.28Å; L509-L513 WeakPolarHBondContact O-CB 3.48Å; L509-L513 WeakPolarHBondContact O-CG 3.4Å; L509-L513 PolarHBondContact O-N 2.96Å; R511-L513 PolarHBondContact O-N 2.84Å; L513-H517 HydrophobicContact CD2-CB 4.43Å; L513-H517 CarbonylContact O-C 3.58Å; L513-H517 VanDerWaalsContact O-CA 3.23Å; L513-H517 WeakPolarHBondContact O-CA 3.42Å; L513-H517 WeakPolarHBondContact O-CB 3.32Å; L513-H517 PolarHBondContact O-N 3.38Å; L513-G518 PolarHBondContact O-N 3.2Å
514	K	86.5	Confident	75.5	Confident	171 Å²	171	77.1 Å²	77.1	74%	0.743	39%	0.39	S	S	*	.	H	α-helix	trans	-67.9	-39.8	176.3	-174.2	-178.6	177.6	-174.7	0	112.5	R510 R511 H512 G518	R510-K514 WeakPolarHBondContact O-CB 3.48Å; R510-K514 PolarHBondContact O-N 2.9Å; R510-K514 VanDerWaalsContact O-N 3.09Å; R511-K514 WeakPolarHBondContact O-CB 3.45Å; R511-K514 PolarHBondContact O-N 3.35Å; R511-K514 VanDerWaalsContact O-N 3.09Å; H512-K514 VanDerWaalsContact C-N 3.31Å; H512-K514 PolarHBondContact O-N 3.21Å; K514-G518 WeakPolarHBondContact O-CA 3.34Å; K514-G518 PolarHBondContact O-N 3.11Å
515	E	85.7	Confident	74.1	Confident	123 Å²	123	80.3 Å²	80.3	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-80	-44.5	-174.9	-71.3	162.9	178.8	0	0	112.8	R511 H512	R511-E515 WeakPolarHBondContact CD-OE1 3.5Å; R511-E515 HydrophobicContact CG-CG 4.42Å; R511-E515 WeakPolarHBondContact CG-OE1 3.21Å; R511-E515 WeakPolarHBondContact O-CG 3.36Å; R511-E515 PolarHBondContact O-N 3.37Å; H512-E515 PolarHBondContact O-N 3.24Å
516	Q	78.9	Confident	72.6	Confident	128 Å²	128	83.4 Å²	83.4	60%	0.598	43%	0.43	S	S	*	.	H	α-helix	trans	-96.6	-25.8	-174	-54.6	-56.5	-47.2	0	0	113.1	H512	H512-Q516 WeakPolarHBondContact ND1-CG 3.41Å; H512-Q516 WeakPolarHBondContact O-CB 3.5Å; H512-Q516 PolarHBondContact O-N 3.35Å
517	H	83.4	Confident	71.3	Confident	43 Å²	43	80.5 Å²	80.5	20%	0.199	42%	0.418	C	S	.	.	H	α-helix	trans	-131.1	13.6	-171.1	-54.2	-61	0	0	0	113.5	Y498 H512 L513 K519 T520	Y498-H517 HydrophobicContact CD2-CB 3.8Å; Y498-H517 AromaticContact CD2-CG 3.72Å; Y498-H517 HydrophobicContact CE2-CB 4.2Å; Y498-H517 HydrophobicContact CG-CB 4.49Å; H512-H517 AromaticContact CE1-NE2 3.83Å; H512-H517 AromaticContact NE2-CD2 3.62Å; H512-H517 AromaticContact NE2-NE2 3.49Å; H512-H517 PolarHBondContact NE2-NE2 3.33Å; L513-H517 HydrophobicContact CD2-CB 4.43Å; L513-H517 CarbonylContact O-C 3.58Å; L513-H517 VanDerWaalsContact O-CA 3.23Å; L513-H517 WeakPolarHBondContact O-CA 3.42Å; L513-H517 WeakPolarHBondContact O-CB 3.32Å; L513-H517 PolarHBondContact O-N 3.38Å; H517-K519 PolarHBondContact O-N 2.97Å; H517-T520 PolarHBondContact O-N 3.16Å; H517-T520 PolarHBondContact O-OG1 2.88Å
518	G	66.9	Low	70	Confident	39 Å²	39	82.7 Å²	82.7	40%	0.402	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	19.5	-168.5	0	0	0	0	0	117.8	L513 K514	L513-G518 PolarHBondContact O-N 3.2Å; K514-G518 WeakPolarHBondContact O-CA 3.34Å; K514-G518 PolarHBondContact O-N 3.11Å
519	K	58.3	Low	68.7	Low	209 Å²	209	86.4 Å²	86.4	91%	0.909	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-13.5	175.6	-64.7	180	-178.2	174.9	0	113.6	H517	H517-K519 PolarHBondContact O-N 2.97Å
520	T	54.4	Low	67.5	Low	56 Å²	56	89.3 Å²	89.3	34%	0.344	45%	0.453	S	S	.	.			trans	-109.2	20.1	-176.6	54.4	0	0	0	0	113.5	Y498 H517 G522 Q523	Y498-T520 VanDerWaalsContact CZ-OG1 3.26Å; Y498-T520 WeakPolarHBondContact OH-CB 3.11Å; Y498-T520 PolarHBondContact OH-OG1 3.49Å; H517-T520 PolarHBondContact O-N 3.16Å; H517-T520 PolarHBondContact O-OG1 2.88Å; T520-G522 PolarHBondContact O-N 2.97Å; T520-Q523 PolarHBondContact O-N 3.37Å
521	T	55.1	Low	66.4	Low	90 Å²	90	87.1 Å²	87.1	55%	0.552	45%	0.449	S	S	*	.	H	α-helix	trans	-55	-23.4	-167.1	-30.7	0	0	0	0	115.4	Q523 N524	T521-Q523 VanDerWaalsContact C-N 3.32Å; T521-Q523 PolarHBondContact O-N 2.81Å; T521-N524 PolarHBondContact O-N 3.44Å
522	G	54.4	Low	65.5	Low	65 Å²	65	90.2 Å²	90.2	67%	0.67	46%	0.461	S	S	*	.	H	α-helix	trans	-65.6	-27.8	175.4	0	0	0	0	0	114.5	T520	T520-G522 PolarHBondContact O-N 2.97Å
523	Q	52.1	Low	64.6	Low	120 Å²	120	93.2 Å²	93.2	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-82.7	-21.7	179.2	-71.8	177.7	-34.4	0	0	113.2	T520 T521 S525 L526 H527	T520-Q523 PolarHBondContact O-N 3.37Å; T521-Q523 VanDerWaalsContact C-N 3.32Å; T521-Q523 PolarHBondContact O-N 2.81Å; Q523-S525 PolarHBondContact O-N 3.5Å; Q523-L526 PolarHBondContact O-N 3.14Å; Q523-L526 VanDerWaalsContact O-N 3.14Å; Q523-H527 PolarHBondContact O-N 3.2Å; Q523-H527 VanDerWaalsContact O-N 3.17Å
524	N	52.7	Low	63.8	Low	35 Å²	35	98.2 Å²	98.2	19%	0.187	49%	0.492	C	S	.	.	H	α-helix	trans	-60	-33.7	177.5	-65.4	-16.1	0	0	0	112	T521 L526 E528	T521-N524 PolarHBondContact O-N 3.44Å; N524-L526 VanDerWaalsContact C-N 3.34Å; N524-E528 WeakPolarHBondContact O-CB 3.48Å; N524-E528 WeakPolarHBondContact O-CG 3.49Å; N524-E528 PolarHBondContact O-N 3.33Å
525	S	53.8	Low	63	Low	79 Å²	79	92.9 Å²	92.9	55%	0.552	48%	0.48	S	S	*	.	H	α-helix	trans	-68.2	-33.5	178.6	-164.9	0	0	0	0	112.7	Q523 Q529	Q523-S525 PolarHBondContact O-N 3.5Å; S525-Q529 VanDerWaalsContact O-CB 3.3Å; S525-Q529 WeakPolarHBondContact O-CB 3.44Å; S525-Q529 PolarHBondContact O-N 3.33Å
526	L	54.1	Low	62.2	Low	106 Å²	106	95.5 Å²	95.5	56%	0.555	49%	0.485	S	S	*	.	H	α-helix	trans	-73.2	-46.1	177.2	-66.4	173.2	0	0	0	110.3	Q523 N524 E528 Q529 E530	Q523-L526 PolarHBondContact O-N 3.14Å; Q523-L526 VanDerWaalsContact O-N 3.14Å; N524-L526 VanDerWaalsContact C-N 3.34Å; L526-E528 PolarHBondContact O-N 2.93Å; L526-Q529 CarbonylContact O-C 3.51Å; L526-Q529 WeakPolarHBondContact O-CA 3.15Å; L526-Q529 WeakPolarHBondContact O-CB 3.36Å; L526-Q529 PolarHBondContact O-N 2.94Å; L526-E530 WeakPolarHBondContact O-CG 3.22Å; L526-E530 PolarHBondContact O-N 2.81Å
527	H	54.9	Low	61.4	Low	72 Å²	72	95.3 Å²	95.3	33%	0.333	48%	0.484	S	S	.	.	H	α-helix	trans	-69.7	-36.5	-179.2	-162.7	55.9	0	0	0	113.3	Q523 Q529 E530 E531	Q523-H527 PolarHBondContact O-N 3.2Å; Q523-H527 VanDerWaalsContact O-N 3.17Å; H527-Q529 PolarHBondContact O-N 2.81Å; H527-E530 IonicContact CE1-OE2 3.81Å; H527-E530 IonicContact CG-OE2 3.28Å; H527-E530 IonicContact ND1-OE2 3.07Å; H527-E530 PolarHBondContact ND1-OE2 3.4Å; H527-E530 PolarHBondContact O-N 2.78Å; H527-E531 PolarHBondContact O-N 2.76Å
528	E	58.2	Low	60.3	Low	82 Å²	82	96.8 Å²	96.8	38%	0.383	50%	0.496	S	S	.	.	H	α-helix	trans	-69.5	-15.1	169.1	-68.9	-164.5	179.8	0	0	112.8	N524 L526 R532	N524-E528 WeakPolarHBondContact O-CB 3.48Å; N524-E528 WeakPolarHBondContact O-CG 3.49Å; N524-E528 PolarHBondContact O-N 3.33Å; L526-E528 PolarHBondContact O-N 2.93Å; E528-R532 VanDerWaalsContact CB-NH1 3.28Å; E528-R532 VanDerWaalsContact O-CD 3.22Å; E528-R532 WeakPolarHBondContact O-CD 3.21Å; E528-R532 WeakPolarHBondContact O-CG 3.42Å; E528-R532 PolarHBondContact O-NE 3.39Å; E528-R532 PolarHBondContact O-NH1 2.88Å; E528-R532 IonicContact OE2-CZ 3.69Å; E528-R532 IonicContact OE2-NH1 3.68Å; E528-R532 PolarHBondContact OE2-NH1 2.8Å; E528-R532 IonicContact OE2-NH2 2.81Å; E528-R532 PolarHBondContact OE2-NH2 3.03Å
529	Q	58.3	Low	60	Low	91 Å²	91	97.8 Å²	97.8	43%	0.425	50%	0.5	S	S	.	.	H	α-helix	trans	-83.7	-47.7	170.9	178.9	170.7	-14.2	0	0	110.3	S525 L526 H527 E531 R532 E533	S525-Q529 VanDerWaalsContact O-CB 3.3Å; S525-Q529 WeakPolarHBondContact O-CB 3.44Å; S525-Q529 PolarHBondContact O-N 3.33Å; L526-Q529 CarbonylContact O-C 3.51Å; L526-Q529 WeakPolarHBondContact O-CA 3.15Å; L526-Q529 WeakPolarHBondContact O-CB 3.36Å; L526-Q529 PolarHBondContact O-N 2.94Å; H527-Q529 PolarHBondContact O-N 2.81Å; Q529-E531 VanDerWaalsContact C-N 3.32Å; Q529-E531 PolarHBondContact O-N 3.33Å; Q529-R532 CarbonylContact O-C 3.5Å; Q529-R532 WeakPolarHBondContact O-CA 3.39Å; Q529-R532 WeakPolarHBondContact O-CB 3.4Å; Q529-R532 PolarHBondContact O-N 3.42Å; Q529-E533 HydrophobicContact CG-CG 4.39Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.28Å; Q529-E533 PolarHBondContact NE2-OE1 2.96Å; Q529-E533 PolarHBondContact O-N 3.29Å
530	E	64.3	Low	60	Low	88 Å²	88	92.2 Å²	92.2	41%	0.411	48%	0.484	S	S	.	.	H	α-helix	trans	-54.3	-42.1	172.5	-69.6	168.2	-178.7	0	0	112.7	L526 H527 R532 R534	L526-E530 WeakPolarHBondContact O-CG 3.22Å; L526-E530 PolarHBondContact O-N 2.81Å; H527-E530 IonicContact CE1-OE2 3.81Å; H527-E530 IonicContact CG-OE2 3.28Å; H527-E530 IonicContact ND1-OE2 3.07Å; H527-E530 PolarHBondContact ND1-OE2 3.4Å; H527-E530 PolarHBondContact O-N 2.78Å; E530-R532 VanDerWaalsContact C-N 3.33Å; E530-R534 WeakPolarHBondContact O-CB 3.3Å; E530-R534 PolarHBondContact O-N 3.02Å
531	E	63	Low	60	Low	111 Å²	111	96.6 Å²	96.6	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-66.6	-33	174.1	-79.2	-163.3	144.1	0	0	112.4	H527 Q529 A535	H527-E531 PolarHBondContact O-N 2.76Å; Q529-E531 VanDerWaalsContact C-N 3.32Å; Q529-E531 PolarHBondContact O-N 3.33Å; E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 2.9Å
532	R	66.9	Low	59.7	Low	140 Å²	140	98.7 Å²	98.7	53%	0.528	50%	0.497	S	S	.	.	H	α-helix	trans	-77.9	-29.8	177.2	-73.3	172.8	-170.1	115.1	3.4	112.8	E528 Q529 E530 R536	E528-R532 VanDerWaalsContact CB-NH1 3.28Å; E528-R532 VanDerWaalsContact O-CD 3.22Å; E528-R532 WeakPolarHBondContact O-CD 3.21Å; E528-R532 WeakPolarHBondContact O-CG 3.42Å; E528-R532 PolarHBondContact O-NE 3.39Å; E528-R532 PolarHBondContact O-NH1 2.88Å; E528-R532 IonicContact OE2-CZ 3.69Å; E528-R532 IonicContact OE2-NH1 3.68Å; E528-R532 PolarHBondContact OE2-NH1 2.8Å; E528-R532 IonicContact OE2-NH2 2.81Å; E528-R532 PolarHBondContact OE2-NH2 3.03Å; Q529-R532 CarbonylContact O-C 3.5Å; Q529-R532 WeakPolarHBondContact O-CA 3.39Å; Q529-R532 WeakPolarHBondContact O-CB 3.4Å; Q529-R532 PolarHBondContact O-N 3.42Å; E530-R532 VanDerWaalsContact C-N 3.33Å; R532-R536 VanDerWaalsContact O-CD 3.28Å; R532-R536 WeakPolarHBondContact O-CD 3.34Å; R532-R536 WeakPolarHBondContact O-CG 3.34Å; R532-R536 PolarHBondContact O-N 2.9Å
533	E	69	Low	59.6	Low	86 Å²	86	99.1 Å²	99.1	40%	0.402	49%	0.488	S	S	.	.	H	α-helix	trans	-75.6	-49.2	174.7	-75.3	164.5	-179.3	0	0	109.3	Q529 A535 R536 E537	Q529-E533 HydrophobicContact CG-CG 4.39Å; Q529-E533 WeakPolarHBondContact CG-OE1 3.28Å; Q529-E533 PolarHBondContact NE2-OE1 2.96Å; Q529-E533 PolarHBondContact O-N 3.29Å; E533-A535 VanDerWaalsContact C-N 3.32Å; E533-A535 PolarHBondContact O-N 3.32Å; E533-R536 CarbonylContact O-C 3.58Å; E533-R536 WeakPolarHBondContact O-CA 3.18Å; E533-R536 WeakPolarHBondContact O-CB 3.13Å; E533-R536 PolarHBondContact O-N 3.15Å; E533-E537 WeakPolarHBondContact O-CG 3.4Å; E533-E537 PolarHBondContact O-N 2.86Å
534	R	69.3	Low	59.5	Low	128 Å²	128	99 Å²	99	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-58.4	-39.1	174.1	-166.1	179.1	-58.2	109.3	9.8	113.5	E530 R536 E537 T538	E530-R534 WeakPolarHBondContact O-CB 3.3Å; E530-R534 PolarHBondContact O-N 3.02Å; R534-R536 VanDerWaalsContact C-N 3.26Å; R534-R536 PolarHBondContact O-N 3.43Å; R534-E537 WeakPolarHBondContact CA-OE2 3.18Å; R534-E537 PolarHBondContact O-N 3.36Å; R534-T538 PolarHBondContact O-N 3.02Å; R534-T538 PolarHBondContact O-OG1 3.15Å
535	A	69	Low	59.5	Low	59 Å²	59	102 Å²	102	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-72.7	-15.4	174.9	0	0	0	0	0	113.9	E531 E533 T538 A539	E531-A535 WeakPolarHBondContact O-CB 3.46Å; E531-A535 PolarHBondContact O-N 2.9Å; E533-A535 VanDerWaalsContact C-N 3.32Å; E533-A535 PolarHBondContact O-N 3.32Å; A535-T538 PolarHBondContact O-OG1 3.28Å; A535-A539 WeakPolarHBondContact O-CB 3.43Å
536	R	70.1	Confident	59.3	Low	179 Å²	179	105.1 Å²	105.1	68%	0.675	51%	0.506	S	S	*	.	H	α-helix	trans	-84.1	-42.4	167.3	-71.4	163	-176.9	-77.1	3.9	110.7	R532 E533 R534 T538 A539 V540	R532-R536 VanDerWaalsContact O-CD 3.28Å; R532-R536 WeakPolarHBondContact O-CD 3.34Å; R532-R536 WeakPolarHBondContact O-CG 3.34Å; R532-R536 PolarHBondContact O-N 2.9Å; E533-R536 CarbonylContact O-C 3.58Å; E533-R536 WeakPolarHBondContact O-CA 3.18Å; E533-R536 WeakPolarHBondContact O-CB 3.13Å; E533-R536 PolarHBondContact O-N 3.15Å; R534-R536 VanDerWaalsContact C-N 3.26Å; R534-R536 PolarHBondContact O-N 3.43Å; R536-T538 VanDerWaalsContact C-N 3.33Å; R536-T538 PolarHBondContact O-N 2.87Å; R536-A539 CarbonylContact O-C 3.59Å; R536-A539 PolarHBondContact O-N 2.83Å; R536-A539 VanDerWaalsContact O-N 3.15Å; R536-V540 WeakPolarHBondContact O-CG2 3.49Å; R536-V540 PolarHBondContact O-N 2.91Å
537	E	61.4	Low	59.1	Low	123 Å²	123	106.3 Å²	106.3	58%	0.575	51%	0.509	S	S	*	.	H	α-helix	trans	-57.1	-44.3	176.4	-68.4	167.6	164.4	0	0	111.6	E533 R534 V540 R541	E533-E537 WeakPolarHBondContact O-CG 3.4Å; E533-E537 PolarHBondContact O-N 2.86Å; R534-E537 WeakPolarHBondContact CA-OE2 3.18Å; R534-E537 PolarHBondContact O-N 3.36Å; E537-V540 PolarHBondContact O-N 3.23Å; E537-R541 PolarHBondContact O-N 3.17Å; E537-R541 VanDerWaalsContact O-N 3.09Å
538	T	60.3	Low	58.9	Low	75 Å²	75	109.8 Å²	109.8	46%	0.46	53%	0.525	S	S	.	.	H	α-helix	trans	-63.9	-43.3	173.9	54.9	0	0	0	0	112.3	R534 A535 R536 V540 R541 E542	R534-T538 PolarHBondContact O-N 3.02Å; R534-T538 PolarHBondContact O-OG1 3.15Å; A535-T538 PolarHBondContact O-OG1 3.28Å; R536-T538 VanDerWaalsContact C-N 3.33Å; R536-T538 PolarHBondContact O-N 2.87Å; T538-V540 PolarHBondContact O-N 3.09Å; T538-R541 PolarHBondContact O-N 3.17Å; T538-E542 PolarHBondContact O-N 3.34Å; T538-E542 VanDerWaalsContact O-N 3.15Å
539	A	59.8	Low	58.5	Low	60 Å²	60	109.7 Å²	109.7	50%	0.496	53%	0.533	S	S	.	.	H	α-helix	trans	-72.8	-9.9	179.4	0	0	0	0	0	114.3	A535 R536	A535-A539 WeakPolarHBondContact O-CB 3.43Å; R536-A539 CarbonylContact O-C 3.59Å; R536-A539 PolarHBondContact O-N 2.83Å; R536-A539 VanDerWaalsContact O-N 3.15Å
540	V	59.3	Low	58.1	Low	92 Å²	92	110 Å²	110	56%	0.558	54%	0.537	S	S	*	.	H	α-helix	trans	-94.8	-25.5	170.6	170.7	0	0	0	0	111.5	R536 E537 T538 P543	R536-V540 WeakPolarHBondContact O-CG2 3.49Å; R536-V540 PolarHBondContact O-N 2.91Å; E537-V540 PolarHBondContact O-N 3.23Å; T538-V540 PolarHBondContact O-N 3.09Å; V540-P543 WeakPolarHBondContact O-CD 3.42Å
541	R	53	Low	57.5	Low	147 Å²	147	110.1 Å²	110.1	56%	0.555	54%	0.544	S	S	*	.	H	α-helix	trans	-80.7	-36.7	176.6	-84.1	-174.2	60.9	143.9	0	115.3	E537 T538 P543 E544 E545	E537-R541 PolarHBondContact O-N 3.17Å; E537-R541 VanDerWaalsContact O-N 3.09Å; T538-R541 PolarHBondContact O-N 3.17Å; R541-P543 VanDerWaalsContact C-N 3.31Å; R541-E544 WeakPolarHBondContact O-CB 3.41Å; R541-E544 PolarHBondContact O-N 3.01Å; R541-E545 IonicContact CZ-OE1 3.32Å; R541-E545 VanDerWaalsContact CZ-OE1 3.28Å; R541-E545 IonicContact NE-OE1 3.32Å; R541-E545 PolarHBondContact NE-OE1 3.07Å; R541-E545 VanDerWaalsContact NE-OE1 3.07Å; R541-E545 IonicContact NH2-OE1 2.66Å; R541-E545 PolarHBondContact NH2-OE1 3.47Å; R541-E545 PolarHBondContact O-N 3.34Å; R541-E545 VanDerWaalsContact O-N 3.08Å
542	E	50.3	Low	56.9	Low	135 Å²	135	108.7 Å²	108.7	63%	0.631	54%	0.543	S	S	*	.	H	α-helix	trans	-55.5	-40.3	179.2	-72.6	175.7	171.9	0	0	112.6	T538 E544 E546	T538-E542 PolarHBondContact O-N 3.34Å; T538-E542 VanDerWaalsContact O-N 3.15Å; E542-E544 VanDerWaalsContact C-N 3.3Å; E542-E544 PolarHBondContact O-N 3.08Å; E542-E546 PolarHBondContact O-N 2.66Å; E542-E546 VanDerWaalsContact O-N 3.17Å
543	P	52.8	Low	56.1	Low	73 Å²	73	108.5 Å²	108.5	47%	0.474	55%	0.548	S	S	.	.	H	α-helix	trans	-61.4	-27	169.7	-26	35	0	0	0	116.1	V540 R541 Q547	V540-P543 WeakPolarHBondContact O-CD 3.42Å; R541-P543 VanDerWaalsContact C-N 3.31Å; P543-Q547 WeakPolarHBondContact O-CB 3.38Å; P543-Q547 PolarHBondContact O-N 3.02Å
544	E	50	Low	55.1	Low	119 Å²	119	111.1 Å²	111.1	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-82.2	-40.2	-178.9	-63.7	-179	143.6	0	0	110.9	R541 E542 Q547 E548	R541-E544 WeakPolarHBondContact O-CB 3.41Å; R541-E544 PolarHBondContact O-N 3.01Å; E542-E544 VanDerWaalsContact C-N 3.3Å; E542-E544 PolarHBondContact O-N 3.08Å; E544-Q547 WeakPolarHBondContact O-CB 3.5Å; E544-Q547 PolarHBondContact O-N 3.15Å; E544-Q547 VanDerWaalsContact O-N 3.15Å; E544-E548 PolarHBondContact O-N 2.9Å
545	E	51.2	Low	54.2	Low	97 Å²	97	109.4 Å²	109.4	45%	0.453	56%	0.564	S	S	.	*	H	α-helix	trans	-70.4	-35.6	177.9	-70.3	171.7	-148.1	0	0	112.1	R541 Q547 C549	R541-E545 IonicContact CZ-OE1 3.32Å; R541-E545 VanDerWaalsContact CZ-OE1 3.28Å; R541-E545 IonicContact NE-OE1 3.32Å; R541-E545 PolarHBondContact NE-OE1 3.07Å; R541-E545 VanDerWaalsContact NE-OE1 3.07Å; R541-E545 IonicContact NH2-OE1 2.66Å; R541-E545 PolarHBondContact NH2-OE1 3.47Å; R541-E545 PolarHBondContact O-N 3.34Å; R541-E545 VanDerWaalsContact O-N 3.08Å; E545-Q547 VanDerWaalsContact C-N 3.29Å; E545-Q547 PolarHBondContact O-N 3.25Å; E545-C549 PolarHBondContact O-N 3.39Å
546	E	50.9	Low	53.3	Low	144 Å²	144	115.1 Å²	115.1	67%	0.673	58%	0.581	S	S	*	*	H	α-helix	trans	-65.3	-31.9	168.7	-72.2	-171.6	163.3	0	0	112.3	E542 L550	E542-E546 PolarHBondContact O-N 2.66Å; E542-E546 VanDerWaalsContact O-N 3.17Å; E546-L550 WeakPolarHBondContact O-CD1 3.5Å; E546-L550 WeakPolarHBondContact O-CG 3.36Å
547	Q	49.6	Very low	52.3	Low	131 Å²	131	115 Å²	115	61%	0.612	59%	0.588	S	S	*	*	H	α-helix	trans	-73.5	-38.5	179	-163.8	81.7	88.3	0	0	112.1	P543 E544 E545	P543-Q547 WeakPolarHBondContact O-CB 3.38Å; P543-Q547 PolarHBondContact O-N 3.02Å; E544-Q547 WeakPolarHBondContact O-CB 3.5Å; E544-Q547 PolarHBondContact O-N 3.15Å; E544-Q547 VanDerWaalsContact O-N 3.15Å; E545-Q547 VanDerWaalsContact C-N 3.29Å; E545-Q547 PolarHBondContact O-N 3.25Å
548	E	50.6	Low	52	Low	145 Å²	145	114.9 Å²	114.9	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-71.5	-42.5	177.9	-72.4	-163.7	135.8	0	0	112.9	E544 L550 V551 T552	E544-E548 PolarHBondContact O-N 2.9Å; E548-L550 VanDerWaalsContact C-N 3.3Å; E548-L550 PolarHBondContact O-N 3.18Å; E548-V551 WeakPolarHBondContact O-CB 3.49Å; E548-V551 PolarHBondContact O-N 2.82Å; E548-T552 PolarHBondContact O-N 3.02Å
549	C	49	Very low	51.1	Low	81 Å²	81	120.4 Å²	120.4	55%	0.547	64%	0.637	S	S	.	*	H	α-helix	trans	-57.4	-42.3	177.5	-91.8	0	0	0	0	112.4	E545 V551 T552 E553	E545-C549 PolarHBondContact O-N 3.39Å; C549-V551 PolarHBondContact O-N 3.21Å; C549-T552 WeakPolarHBondContact CA-OG1 3.49Å; C549-T552 PolarHBondContact O-N 3.23Å; C549-T552 PolarHBondContact O-OG1 3.28Å; C549-E553 PolarHBondContact O-N 3.32Å
550	L	50.7	Low	50.7	Low	96 Å²	96	123.4 Å²	123.4	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-65.6	-17.9	177.6	-72.9	172.7	0	0	0	114.1	E546 E548 Q554	E546-L550 WeakPolarHBondContact O-CD1 3.5Å; E546-L550 WeakPolarHBondContact O-CG 3.36Å; E548-L550 VanDerWaalsContact C-N 3.3Å; E548-L550 PolarHBondContact O-N 3.18Å; L550-Q554 PolarHBondContact O-NE2 3.49Å
551	V	52.3	Low	50.2	Low	92 Å²	92	125.1 Å²	125.1	56%	0.558	65%	0.648	S	S	*	*	H	α-helix	trans	-84.2	-42.3	172.7	174.6	0	0	0	0	110.5	E548 C549 E553 Q554 T555	E548-V551 WeakPolarHBondContact O-CB 3.49Å; E548-V551 PolarHBondContact O-N 2.82Å; C549-V551 PolarHBondContact O-N 3.21Å; V551-E553 PolarHBondContact O-N 3.2Å; V551-Q554 PolarHBondContact O-N 3.27Å; V551-T555 PolarHBondContact O-N 2.86Å
552	T	50.1	Low	50	Low	81 Å²	81	123.8 Å²	123.8	50%	0.497	65%	0.653	S	S	.	*	H	α-helix	trans	-63.8	-40.7	-179.6	46	0	0	0	0	113.6	E548 C549 Q554 T555	E548-T552 PolarHBondContact O-N 3.02Å; C549-T552 WeakPolarHBondContact CA-OG1 3.49Å; C549-T552 PolarHBondContact O-N 3.23Å; C549-T552 PolarHBondContact O-OG1 3.28Å; T552-Q554 PolarHBondContact O-N 3.45Å; T552-T555 PolarHBondContact O-N 2.81Å; T552-T555 PolarHBondContact O-OG1 3.47Å
553	E	48.7	Very low	50	Low	135 Å²	135	123.2 Å²	123.2	63%	0.631	66%	0.655	S	S	*	*	H	α-helix	trans	-67.7	-22	179.1	-67.8	-168.7	142.9	0	0	113.3	C549 V551	C549-E553 PolarHBondContact O-N 3.32Å; V551-E553 PolarHBondContact O-N 3.2Å
554	Q	49.4	Very low	49.9	Very low	142 Å²	142	126.3 Å²	126.3	66%	0.664	67%	0.666	S	S	*	*	H	α-helix	trans	-82.2	-22.7	176.3	-71.2	180	59.1	0	0	112.9	L550 V551 T552	L550-Q554 PolarHBondContact O-NE2 3.49Å; V551-Q554 PolarHBondContact O-N 3.27Å; T552-Q554 PolarHBondContact O-N 3.45Å
555	T	50.3	Low	49.9	Very low	91 Å²	91	126.8 Å²	126.8	56%	0.558	67%	0.673	S	S	*	*	H	α-helix	trans	-79.3	-29.2	177.3	38.7	0	0	0	0	114.1	V551 T552 Q557	V551-T555 PolarHBondContact O-N 2.86Å; T552-T555 PolarHBondContact O-N 2.81Å; T552-T555 PolarHBondContact O-OG1 3.47Å; T555-Q557 VanDerWaalsContact C-N 3.33Å; T555-Q557 PolarHBondContact O-N 3.2Å
556	E	49.8	Very low	49.8	Very low	180 Å²	180	128.9 Å²	128.9	84%	0.841	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-2.6	-179.5	-63.7	-161.6	147.1	0	0	114.4
557	Q	49.7	Very low	49.7	Very low	176 Å²	176	127.8 Å²	127.8	82%	0.822	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.3	4	173.9	-62.8	-169	15.3	0	0	113.9	T555	T555-Q557 VanDerWaalsContact C-N 3.33Å; T555-Q557 PolarHBondContact O-N 3.2Å
558	V	54.2	Low	49.7	Very low	120 Å²	120	127.5 Å²	127.5	73%	0.727	70%	0.697	S	S	*	*			trans	-136.9	66.9	178.9	-165.8	0	0	0	0	111.2
559	S	41.3	Very low	49.6	Very low	191 Å²	191	125.9 Å²	125.9	100%	1.336	70%	0.699	S	S	*	*			trans	-155	0	164.6	-75.3	0	0	0	0	111.4

Retrieved 559 of 559 residues in 307.3 ms (Link to these results)

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